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Hallochem Pharma Co., Ltd.

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Profile: Hallochem Pharma Co., Ltd specializes in active pharmaceutical ingredients (API), veterinary drugs, agrochemicals, biochemicals, intermediates, and specialty chemicals. Our products include 10-deacetylbaccatin, 3-nitrosobenzamide, 6-mercaptopurine, abacavir, acebutolol hydrochloride, aceclofenac, aceglutamide aluminum, acemetacin, aciclovir, acipimox, and acitretin.

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• 3-Noradamantanecarboxylic Acid
Synonyms: ZINC04282762, ZINC04282753, CID11887833

Molecular Formula: C10H13O2-Molecular Weight: 165.209020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RXUUYFUQAGICCD-NLZKFAMNSA-M

• 2,6-Bis(chloromethyl)pyridine
IUPAC Name: 2,6-bis(chloromethyl)pyridine | CAS Registry Number: 3099-28-3
Synonyms: 2,6-Bis-chloromethyl-pyridine, 405418_ALDRICH, alpha,alpha'-Dichloro-2,6-lutidine, NSC244982, ST5411229

Molecular Formula: C7H7Cl2NMolecular Weight: 176.043180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IWQNFYRJSVJWQA-UHFFFAOYSA-N

• 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
IUPAC Name: 2,5-dimethyl-1,4-dithiane-2,5-diol | CAS Registry Number: 55704-78-4
Synonyms: 2-Mercaptopropanone, FEMA No. 3450, EINECS 259-770-3, 2,5-Dimethyl-p-dithiane-2,5-diol, NSC 176174, 1,4-Dithiane-2,5-diol, 2,5-dimethyl-, 2,5-Dimethyl-1,4-dithiane-2,5-diol, 2,5-Dimethyl-2,5-dihydroxy-p-dithiane, NSC176174, LS-2681, ST5405404

Molecular Formula: C6H12O2S2Molecular Weight: 180.288280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NHKIYYMFGJBOTK-UHFFFAOYSA-N

• 1,5,6,7-Tetrahydro-4H-indol-4-one
IUPAC Name: 1,5,6,7-tetrahydroindol-4-one | CAS Registry Number: 13754-86-4
Synonyms: 357839_ALDRICH, NSC131681, 1,5,6,7-Tetrahydro-4-indolone, CID280229, ZINC00389705, 8P-059, InChI=1/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KASJZXHXXNEULX-UHFFFAOYSA-N

• 4,4-Bis(4-fluorophenyl)butyric acid
IUPAC Name: 4,4-bis(4-fluorophenyl)butanoic acid | CAS Registry Number: 20662-52-6
Synonyms: EINECS 243-949-8

Molecular Formula: C16H14F2O2Molecular Weight: 276.277966 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CZNWJIAAVVXYFS-UHFFFAOYSA-N

• 2,5-Dithiobiurea (Dithiamide)
IUPAC Name: (carbamothioylamino)thiourea | CAS Registry Number: 142-46-1
Synonyms: Dithiobiurea, Bithiourea, Dithiourea, Bis(thiourea), Dithiobiuret, 2,5-DITHIOBIUREA, 2,5-Dithiodiurea, Bithiourea (VAN), Biurea, 2,5-dithio-, Dithiocarbamoylhydrazine, Dithiobiurea (VAN), 2,5-dithiourea, Hydrazodicarbothioamide, Bisthiocarbamyl hydrazine, 1,2-Hydrazinedicarbothioamide, USAF ek-p-6281, WLN: SUYZMMYZUS, Dithiocarbamoyl hydrazine, USAF B-44, USAF B-55

Molecular Formula: C2H6N4S2Molecular Weight: 150.225840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 0

InChIKey: KCOYHFNCTWXETP-UHFFFAOYSA-N

• 5-Diethylamino-2-pentanone
IUPAC Name: 5-(diethylamino)pentan-2-one | CAS Registry Number: 105-14-6
Synonyms: Novol ketone, Novalketone, 5-Diethylaminopentan-2-one, 1-(Diethylamino)-4-pentanone, 5-(diethylamino)pentan-2-one, 5-diethylamino-pentan-2-one, 2-PENTANONE, 5-(DIETHYLAMINO)-, 5-(N,N-Diethylamino)pentan-2-one, 5-(Diethylamino)-2-pentanone, DF 493, NSC 6320, EINECS 203-274-1, NSC6320, BRN 1749398, WLN: 2N2 & 3V1, AI3-08706, LS-101940, 4-04-00-01935 (Beilstein Handbook Reference)

Molecular Formula: C9H19NOMolecular Weight: 157.253260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GRGNJBKJCVOFEO-UHFFFAOYSA-N

• 3-Methyl-2-cyclopenten-1-one
IUPAC Name: 3-methylcyclopent-2-en-1-one | CAS Registry Number: 2758-18-1
Synonyms: 3-Methyl-2-cyclopentenone, 1-Methyl-1-cyclopenten-3-one, 2-Cyclopenten-1-one, 3-methyl-, 3-Methylcyclopent-2-enone, FEMA No. 3435, 145777_ALDRICH, 3-methylcyclopent-2-en-1-one, ZINC02035915, 3-METHYL-2-CYCLOPENTEN-1-ONE, CID17691, EINECS 220-421-5, InChI=1/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H

Molecular Formula: C6H8OMolecular Weight: 96.127120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CHCCBPDEADMNCI-UHFFFAOYSA-N

• 2,4,5-Trimethoxyaniline
IUPAC Name: 2,4,5-trimethoxyaniline | CAS Registry Number: 26510-91-8
Synonyms: 2,4,5-TRIMETHOXYANILINE, SureCN1708452, Ambap26510-91-8, Benzenamine,2,4,5-trimethoxy-, CTK4F8036, ANW-71589, AKOS009395818, AG-E-83517, MCULE-9118703617, AK-77628, KB-17127, FT-0686999, I01-9161, Aniline,2,4,5-trimethoxy- (8CI); 2,4,5-Trimethoxyaniline;5-Amino-1,2,4-trimethoxybenzene

Molecular Formula: C9H13NO3Molecular Weight: 183.204420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SXVWPPJHFOCGAD-UHFFFAOYSA-N

• 4-amino-2-methoxybenzoic acid
IUPAC Name: 4-amino-2-methoxybenzoic acid | CAS Registry Number: 2486-80-8
Synonyms: 4-Amino-o-anisic acid, 4-Amino-2-methoxybenzoic acid, Oprea1_049290, MLS000544884, 647624_ALDRICH, AIDS020084, AIDS-020084, EINECS 219-632-5, NSC208766, 4-amino-2-methoxybenzenecarboxylic acid, SMR000126641, 11P-705

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OLJXRTRRJSMURJ-UHFFFAOYSA-N

• 2,6-Dichloroquinoxaline (CAS: 18971-97-1)
• 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | CAS Registry Number: 1136-45-4
Synonyms: CBDivE_008536, 134198_ALDRICH, WLN: T5NOJ C1 DVQ ER, EINECS 214-497-9, NSC 76870, 3-Phenyl-5-methylisoxazole-4-carboxylic acid, 5-Methyl-3-phenylisoxazole-4-carboxylic acid, NSC76870, BRN 0164939, SBB010075, 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, SDCCGMLS-0065903.P001, 3-Phenyl-5-methylisoxazol-4-carbonsaeure, BAS 00532226, LS-86647, 5-methyl-3-phenyl-4-isoxazolecarboxylicacid, UPCMLD00X1136-45-4:001, UPCMLD00X1136-45-4:002, 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German], ISOXAZOLE-4-CARBOXYLIC ACID, 5-METHYL-3-PHENYL-

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PENHKTNQUJMHIR-UHFFFAOYSA-N

• 1-Benzyl-3-carbethoxy-4-piperidone hydrochloride
IUPAC Name: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride | CAS Registry Number: 1454-53-1
Synonyms: 495972_ALDRICH, ARONIS009907, EINECS 215-929-9, CID102623, FS000024, ST5320001, Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride, Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride

Molecular Formula: C15H20ClNO3Molecular Weight: 297.777200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YPFMNHZRNXPYBG-UHFFFAOYSA-N

• 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one
IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one | CAS Registry Number: 2147-83-3
Synonyms: MLS000737175, MLS001359872, NSC88883, CID75070, EINECS 218-415-2, SBB003398, SMR000528403, 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one

Molecular Formula: C12H13N3OMolecular Weight: 215.251120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFEOSTXFQCDCAR-UHFFFAOYSA-N

• 3-Nitroacetanilide
IUPAC Name: N-(3-nitrophenyl)acetamide | CAS Registry Number: 122-28-1
Synonyms: m-Nitroacetanilide, 3'-Nitroacetanilide, Acetanilide, 3'-nitro-, N-Acetyl-m-nitroaniline, 3-Nitro-N-acetylaniline, Acetamide, N-(3-nitrophenyl)-, Maybridge1_005437, N-(3-NITROPHENYL)ACETAMIDE, MLS000755735, 644250_ALDRICH, ARONIS013934, NSC1314, Acetanilide, 3'-nitro- (8CI), CID31206, NSC 1314, NSC99339, EINECS 204-532-6, STK257092, ZINC00171659, SMR000337404

Molecular Formula: C8H8N2O3Molecular Weight: 180.160720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KFTYNYHJHKCRKU-UHFFFAOYSA-N

• 2-[2-(2-Thienyl)ethyl]benzoic Acid
IUPAC Name: 2-(2-thiophen-2-ylethyl)benzoic acid | CAS Registry Number: 1622-54-4
Synonyms: 2-(2-(2-Thienyl)ethyl)benzoic acid, CID74186, EINECS 216-595-7

Molecular Formula: C13H12O2SMolecular Weight: 232.298180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BYSDXOIAAYZTBJ-UHFFFAOYSA-N

• 2-(thiocyanatomethylthio)benzothiazole
IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate | CAS Registry Number: 21564-17-0
Synonyms: Superdavloxan, Benthiazole, Alentisan, Ichiban, Busan, Sancelant TMB, Busan 15, Protector 3L, Benthiazole 30%, TCMTB, Delsan 30, Busan 30A, Busan 30I, Busan 72A, Busan 30, Busan 44, Busan 70, Busan 71, Busan 72, Caswell No. 853A

Molecular Formula: C9H6N2S3Molecular Weight: 238.352340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TUBQDCKAWGHZPF-UHFFFAOYSA-N

• 2-Chloro-4'-Methoxyacetophenone
IUPAC Name: 2-chloro-1-(4-methoxyphenyl)ethanone | CAS Registry Number: 2196-99-8
Synonyms: 2-chloro-1-(4-methoxyphenyl)ethanone, NSC41670, CID237806, ZINC00337833, ethanone, 2-chloro-1-(4-methoxyphenyl)-, ST5409183, AQ-917/42754012, I01-1012, InChI=1/C9H9ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MCRINSAETDOKDE-UHFFFAOYSA-N

• 10-Hydroxydecanoic acid
IUPAC Name: 10-hydroxydecanoic acid | CAS Registry Number: 1679-53-4
Synonyms: 10-Hydroxydecanoate, 10-hydroxy capric acid, 10-hydroxy-decanoic acid, Decanoic acid, 10-hydroxy-, 379700_ALDRICH, CHEBI:17409, NSC15139, EINECS 216-848-1, LMFA01050033, C02774

Molecular Formula: C10H20O3Molecular Weight: 188.264000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YJCJVMMDTBEITC-UHFFFAOYSA-N

• 1,3-Dibromobutane
IUPAC Name: (3S)-1,3-dibromobutane | CAS Registry Number: 107-80-2
Synonyms: 1,3-DIBROMOBUTANE

Molecular Formula: C4H8Br2Molecular Weight: 215.914320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XZNGUVQDFJHPLU-BYPYZUCNSA-N

• 4-Hydroxy-3-benzylcoumarin
IUPAC Name: 2-hydroxy-3-(phenylmethyl)chromen-4-one | CAS Registry Number: 15074-18-7
Synonyms: 3Bz-4OHBzpyran2one, 4OH-Coumarin deriv., 4-hydroxy-coumarin 8, CBMicro_020160, Oprea1_155335, Oprea1_579559, AIDS006165, 3-Benzyl-4-hydroxy-chromen-2-one, AIDS-006165, 3-Benzyl-4-hydroxybenzopyran-2-one, CID455535, ZINC00135355, BAS 00395016, BIM-0020121.P001, ST5433925

Molecular Formula: C16H12O3Molecular Weight: 252.264680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DRNCLLOPWVCWGB-UHFFFAOYSA-N

• 3-Bromomethylbenzophenone
IUPAC Name: [3-(bromomethyl)phenyl]-phenylmethanone | CAS Registry Number: 22071-24-5
Synonyms: 3-(Bromomethyl)benzophenone, 3-BENZOYLBENZYLBROMIDE, ZINC02584610, CID89586, EINECS 244-761-9, TL8001834

Molecular Formula: C14H11BrOMolecular Weight: 275.140540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SZJQXQICJDHRJE-UHFFFAOYSA-N

• (S)-(+)-Ketoprofen
IUPAC Name: (2S)-2-[3-(benzoyl)phenyl]propanoic acid | CAS Registry Number: 22161-81-5
Synonyms: ketoprofen, (S)-Ketoprofen, DEXKETOPROFEN, (+)-Ketoprofen, Dexketoprofen [INN], Dexketoprofen (INN), (S)-()-Ketoprofen, BiomolKI_000007, BiomolKI2_000017, (+)-3-Benzoylhydratropic acid, MLS001333189, MLS001333190, K2135_SIGMA, 471909_ALDRICH, (+)-(S)-m-Benzoylhydratropic acid, Hydratropic acid, m-benzoyl-, (+)-, CID667550, (S)-2-(3-Benzoylphenyl)propionic acid, (S)-3-Benzoyl-alpha-methylbenzeneacetic acid, NCGC00142585-01

Molecular Formula: C16H14O3Molecular Weight: 254.280560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DKYWVDODHFEZIM-NSHDSACASA-N

• 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde | CAS Registry Number: 27006-76-4
Synonyms: ZINC00159843, SBB005568, CID2777397

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SZRSMNYUEXXEBL-UHFFFAOYSA-N

• 1-Chloromethoxy-2-methoxyethane
IUPAC Name: 1-(chloromethoxy)-2-methoxyethane | CAS Registry Number: 3970-21-6
Synonyms: MEM-chloride, Methoxyethoxymethyl chloride, 2-Methoxyethoxymethyl chloride, 1-Chloro-2,5-dioxahexane, 357480_ALDRICH, .beta.-Methoxyethoxymethyl chloride, beta-Methoxyethoxymethyl chloride, CID77590, EINECS 223-589-8, ZINC02242622, Ethane, 1-(chloromethoxy)-2-methoxy-, 847026-63-5

Molecular Formula: C4H9ClO2Molecular Weight: 124.566060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BIAAQBNMRITRDV-UHFFFAOYSA-N

• 4-Aminocinnamic acid ethyl ester
IUPAC Name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate | CAS Registry Number: 5048-82-8
Synonyms: Ethyl 4-aminocinnamate, Ethyl p-aminocinnamate, Ambap7714, 576654_ALDRICH, Cinnamic acid, p-amino-, ethyl ester, NSC44439, EINECS 225-747-1, CID736317, NSC 44439, ZINC00157063, TL8003348, D1356, 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NRPMBSHHBFFYBF-VMPITWQZSA-N

• 1,4-Dihydroxy-2-naphthalenecarboxylic acid
IUPAC Name: 1,4-dihydroxynaphthalene-2-carboxylic acid | CAS Registry Number: 31519-22-9
Synonyms: 1,4-Dihydroxy-2-naphthoic acid, DHNA, 1,4-dihydroxy-2-naphthoate, DIHYDROXYNAPHTHOATE, CBMicro_022187, Oprea1_682770, 281255_ALDRICH, CHEBI:18094, 2-Naphthoic acid, 1,4-dihydroxy-, EINECS 250-674-7, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, NCGC00164120-01, 1,4-Dihydroxynaphthalene-2-carboxylic acid, ST5319963, TL8002414, C03657

Molecular Formula: C11H8O4Molecular Weight: 204.178820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N

• 7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl]cephalosphoranic acid
IUPAC Name: (7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 30246-33-4
Synonyms: EINECS 250-099-1, 7-AMINO-3-((5-METHYL-1,3,4-THIAZOL-2-YL)-THIOMETHYL)-CEPH-3-EM-4-CARBOXYLIC ACID, (6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Molecular Formula: C11H12N4O3S3Molecular Weight: 344.432980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HJSGHKMSDOLGJJ-VJSCVCEBSA-N

• 6,7-Dihydroxycoumarin
IUPAC Name: 6,7-dihydroxychromen-2-one | CAS Registry Number: 305-01-1
Synonyms: Esculetin, Aesculetin, Cichorigenin, Esculatin, Esculetol, Esculin aglucon, Asculetine, Cichoriin aglucon, Esculin aglycon, Cichoriin aglycon, 6,7-DIHYDROXYCOUMARIN, Coumarin, 6,7-dihydroxy-, Spectrum_001166, SpecPlus_000334, Prestwick0_000940, Prestwick1_000940, Prestwick2_000940, Prestwick3_000940, Spectrum2_000586, Spectrum3_000752

Molecular Formula: C9H6O4Molecular Weight: 178.141540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-N

• 3,4'-Oxydianiline
IUPAC Name: 3-(4-aminophenoxy)aniline | CAS Registry Number: 2657-87-6
Synonyms: 3-(4-Aminophenoxy)aniline, 3-(4-Aminophenoxy)phenylamine, 476307_ALDRICH, Benzenamine, 3-(4-aminophenoxy)-, EINECS 220-190-0

Molecular Formula: C12H12N2OMolecular Weight: 200.236480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZBMISJGHVWNWTE-UHFFFAOYSA-N

• 1-Methyl-3-phenyl-2-thiourea
IUPAC Name: 1-methyl-3-phenylthiourea | CAS Registry Number: 2724-69-8
Synonyms: 1-Phenyl-3-methylthiourea, N-Methyl-N'-phenylthiourea, Thiourea, N-methyl-N'-phenyl-, 1-Methyl-3-phenylthiocarbamide, Urea, 1-methyl-3-phenyl-2-thio-, N-Methyl-N'-phenyl thiourea, WLN: SUYM1&MR, 1-METHYL-3-PHENYLTHIOUREA, NSC 3736, NSC3736, BRN 0638006, SBB003887, ZINC00073117, LS-160517, 3-12-00-00853 (Beilstein Handbook Reference)

Molecular Formula: C8H10N2SMolecular Weight: 166.243400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: IGEQFPWPMCIYDF-UHFFFAOYSA-N

• 4-Phenylpyridine
IUPAC Name: 4-phenylpyridine | CAS Registry Number: 939-23-1
Synonyms: 4-PHENYLPYRIDINE, p-Phenylpyridine, Pyridine, 4-phenyl-, AZABIPHENYL, P33429_ALDRICH, 79090_FLUKA, EINECS 213-357-4, NSC 70375, NSC 77935, NSC70375, NSC77935, BRN 0110490, SBB008518, ZINC00967333, FR-2206, LS-131888, 5-20-07-00549 (Beilstein Handbook Reference), AC-907/25014285, InChI=1/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9, 52642-16-7

Molecular Formula: C11H9NMolecular Weight: 155.195860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N

• 1-Bromo-3,5-dimethyladamantane
IUPAC Name: 1-bromo-3,5-dimethyladamantane | CAS Registry Number: 941-37-7
Synonyms: NCIOpen2_006758, 187844_ALDRICH, EINECS 213-378-9, NSC102293, ST5410687, 1-Bromo-3,5-dimethyltricyclo(3.3.1.13,7)decane, Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl-

Molecular Formula: C12H19BrMolecular Weight: 243.183260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QUCXLVDIVQWYJR-UHFFFAOYSA-N

• (4-Amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid | CAS Registry Number: 66376-36-1
Synonyms: alendronate, ALENDRONIC ACID, Arendal, 1yhm, bisphosphonate, 65, Alendronic acid (INN), ALENDRONATE SODIUM, Acide alendronique [INN-French], Acido alendronico [INN-Spanish], Acidum alendronicum [INN-Latin], Alendronic acid [BAN:INN], Alendronic acid [INN:BAN], Oprea1_422906, SPECTRUM1505166, CHEBI:2567, CID2088, MK 217, AIDS112217, AIDS-112217, (4-Amino-1-hydroxybutylidene)bisphosphonic acid

Molecular Formula: C4H13NO7P2Molecular Weight: 249.096042 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: OGSPWJRAVKPPFI-UHFFFAOYSA-N

• 7-Chloro-1,4-dihydro-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC Name: 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate | CAS Registry Number: 68077-26-9
Synonyms: ZINC00406649, CID6951491

Molecular Formula: C12H8ClFNO3-Molecular Weight: 268.648223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WNNSMMJBBOPPOT-UHFFFAOYSA-M

• 5-Chloro-2-fluorobenzonitrile
IUPAC Name: 5-chloro-2-fluorobenzonitrile | CAS Registry Number: 57381-34-7
Synonyms: Ambap5451, 548693_ALDRICH, ZINC00404104, CID93653, JRD-1142, EINECS 260-710-3

Molecular Formula: C7H3ClFNMolecular Weight: 155.556823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GJNJDELEHIGPKJ-UHFFFAOYSA-N

• 5-Amino-N-methylisophthalamic acid
IUPAC Name: 3-amino-5-(methylcarbamoyl)benzoic acid | CAS Registry Number: 1954-96-7
Synonyms: EINECS 217-787-3, CID74772, 3-Amino-5-((methylamino)carbonyl)benzoic acid

Molecular Formula: C9H10N2O3Molecular Weight: 194.187300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: SIIWAVHOCVSSKA-UHFFFAOYSA-N

• 3,3-Diphenylpropanol
IUPAC Name: 3,3-di(phenyl)propan-1-ol | CAS Registry Number: 20017-67-8
Synonyms: 3,3-Diphenyl-1-propanol, 1-Propanol, 3,3-diphenyl-, 3,3-DIPHENYLPROPANOL, Benzenepropanol, .gamma.-phenyl-, Benzenepropanol, .beta.-phenyl-, 188972_ALDRICH, NSC74499, EINECS 243-466-2, InChI=1/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H

Molecular Formula: C15H16OMolecular Weight: 212.286940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IDCXQMVSIIJUEH-UHFFFAOYSA-N

• 1-Bromo-3,3-diphenylpropane
IUPAC Name: (3-bromo-1-phenylpropyl)benzene | CAS Registry Number: 20017-68-9
Synonyms: (3-bromo-1-phenylpropyl)benzene, NSC72996, EINECS 243-467-8, ZINC01698823, 1,1'-(3-Bromopropylidene)bisbenzene, AN-584/43345393

Molecular Formula: C15H15BrMolecular Weight: 275.183600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SLHSRCBFPHCSGL-UHFFFAOYSA-N

• 2-Methyl-3,5-dinitrobenzamide
IUPAC Name: 2-methyl-3,5-dinitrobenzamide | CAS Registry Number: 148-01-6
Synonyms: dinitolmide, Coccidot, Zoamix, Coccidine A, Dinitrotoluamide, Zoalene [ANSI], Caswell No. 932, Methyldinitrobenzamide, 3,5-Dinitro-o-toluamide, Spectrum_001272, Dinitolmidum [INN-Latin], Dinitolmida [INN-Spanish], Dinitolmide [BAN:INN], Dinitolmide [INN:BAN], Spectrum2_000677, Spectrum3_001545, Spectrum4_000732, Spectrum5_001231, o-Toluamide, 3,5-dinitro-, BSPBio_002990

Molecular Formula: C8H7N3O5Molecular Weight: 225.158280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZEFNOZRLAWVAQF-UHFFFAOYSA-N

• 5-Chloro-2,4-difluoronitrobenzene
IUPAC Name: 1-chloro-2,4-difluoro-5-nitrobenzene | CAS Registry Number: 1481-68-1
Synonyms: EINECS 216-040-9, CID73867, 1-Chloro-2,4-difluoro-5-nitrobenzene

Molecular Formula: C6H2ClF2NO2Molecular Weight: 193.535386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UIOYEIHBWQTVJC-UHFFFAOYSA-N

• 4-n-Pentylphenol
IUPAC Name: 4-pentylphenol | CAS Registry Number: 14938-35-3
Synonyms: p-Amylphenol, p-Pentylphenol, Phenol, p-pentyl-, 4-Amylphenol, Phenol, 4-pentyl-, 4-PENTYLPHENOL, 4-n-Amylphenol, Amyl p-hydroxybenzene, SGCUT00115, 77102_FLUKA, EINECS 239-015-4, to_000011, BRN 1364424, ZINC01673952, LS-105039, ST5405718, TL8001075, C14466, 4-06-00-03370 (Beilstein Handbook Reference), 65916-15-6

Molecular Formula: C11H16OMolecular Weight: 164.244140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N

• 2,3-Dihydro-2,2-dimethyl-7-benzofuranol
IUPAC Name: 2,2-dimethyl-3H-1-benzofuran-7-ol | CAS Registry Number: 1563-38-8
Synonyms: Carbofuran phenol, Carbofuranphenol, Carbofuran 7-phenol, Carbofuran-7-phenol, RCRA waste no. U367, HSDB 5839, 347256_ALDRICH, CCRIS 9206, CHEBI:38474, EINECS 216-350-4, 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, NIA 10272, AIDS170430, BB_NC-0467, AIDS-170430, ZINC03881547, 2,3-Dihydro-2,2-dimethylbenzofuran-7-ol, CID15278, 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, AI3-27488

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WJGPNUBJBMCRQH-UHFFFAOYSA-N

• 2,3,5-Trichloropyridine
IUPAC Name: 2,3,5-trichloropyridine | CAS Registry Number: 16063-70-0
Synonyms: 2,3,5-TRICHLOROPYRIDINE, Pyridine, 2,3,5-trichloro-, ZERO/001504, 384275_ALDRICH, TPC-I005, CID27666, BRN 0119384, ZINC00084933, T250, LS-132112, EU-0067746, 5-20-05-00420 (Beilstein Handbook Reference), AF-834/25001439, InChI=1/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2

Molecular Formula: C5H2Cl3NMolecular Weight: 182.435080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N

• 1-Bromo-3-chloro-5,5-dimethyl Hydantoin
IUPAC Name: 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione | CAS Registry Number: 16079-88-2
Synonyms: Agribrom, di-Halo, Slimicide 78P, Slimicide C 77P, Halogene T 30, Caswell No. 114A, Ambap3442, EINECS 240-230-0, EPA Pesticide Chemical Code 006315, CID61828, 1-Bromo-3-chloro-5,5-dimethylhydantoin, ZINC01850613, N-Bromo-N'-chloro-5,5-dimethylhydantoin, Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-, LS-76013, 1-Bromo-3-chloro-5,5-dimethyl hydantoin, 1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione, 2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-, 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE

Molecular Formula: C5H6BrClN2O2Molecular Weight: 241.470340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PIEXCQIOSMOEOU-UHFFFAOYSA-N

• 1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butznone
IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one | CAS Registry Number: 1649-18-9
Synonyms: Azaperone, Stresnil, Fluoperidol, Azeperone, Eucalmyl, Suicalm, Sedaperone vet, Azaperon, Stresnil(TN), Azaperonum [INN-Latin], Azaperona [INN-Spanish], Azaperone (USP/INN), Prestwick0_001117, Prestwick1_001117, Prestwick2_001117, Prestwick3_001117, Spectrum2_001250, Spectrum3_001966, CCRIS 1586, BSPBio_001254

Molecular Formula: C19H22FN3OMolecular Weight: 327.395883 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XTKDAFGWCDAMPY-UHFFFAOYSA-N

• 5-Methyl-3-phenylisoxazole-4-carbonyl chloride
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride | CAS Registry Number: 16883-16-2
Synonyms: ZINC02169254, BB_SC-2498, CID85624, EINECS 240-915-4, 3-Phenyl-5-methylisoxazole-4-carbonyl chloride, 4-Isoxazolecarbonyl chloride, 5-methyl-3-phenyl-

Molecular Formula: C11H8ClNO2Molecular Weight: 221.639720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HXEVQMXCHCDPSO-UHFFFAOYSA-N

• 2,4-Bis(trimethylsilyl)-5-fluorouracil
IUPAC Name: (5-fluoro-2-trimethylsilyloxypyrimidin-4-yl)oxy-trimethylsilane | CAS Registry Number: 17242-85-2
Synonyms: 5-Fluorouracil, TMS, Uracil, 5-fluoro, TMS, O,O'-Bis(trimethylsilyl)-5-fluorouracil

Molecular Formula: C10H19FN2O2Si2Molecular Weight: 274.439463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: MPVQFVDWJDULDL-UHFFFAOYSA-N

• 4-Nitrophenyl salicylate
IUPAC Name: (4-nitrophenyl) 2-hydroxybenzoate | CAS Registry Number: 17374-48-0
Synonyms: p-Nitrophenyl salicylate, ACMC-209e7a, AC1LB80J, AC1Q60YN, SureCN2823735, Oprea1_659292, CTK4D4759, (4-nitrophenyl) 2-hydroxybenzoate, Salicylic Acid 4-Nitrophenyl Ester, ANW-22676, AR-1G4102, AKOS015838935, 4-NITROPHENYL 2-HYDROXYBENZOATE, AG-J-46487, FT-0637545, S0146, Benzoic acid,2-hydroxy-, 4-nitrophenyl ester, Salicylicacid, p-nitrophenyl ester (6CI,7CI,8CI); Phenol, p-nitro-, salicylate (8CI);4-Nitrophenyl salicylate; p-Nitrophenyl salicylate

Molecular Formula: C13H9NO5Molecular Weight: 259.214260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XSTIAAYONYIWGB-UHFFFAOYSA-N

• 1-Adamantanemethylamine
IUPAC Name: 1-adamantylmethanamine | CAS Registry Number: 17768-41-1
Synonyms: 1-(Aminomethyl)adamantane, 1-(1-adamantyl)methanamine, Oprea1_307760, 180378_ALDRICH, IFLab1_006466, STOCK1S-59919, ZERO/001761, AIDS211746, AIDS-211746, ALBB-001490, EINECS 241-752-1, NSC285231, Tricyclo[3.3.1.1]decane-1-methanamine, Tricyclo(3.3.1.13,7)dec-1-ylmethylamine, Tricyclo[3.3.1.1(3,7)-]decane-1-methanamine

Molecular Formula: C11H19NMolecular Weight: 165.275260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XSOHXMFFSKTSIT-UHFFFAOYSA-N


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