5-Chloro-7-methylindole-2-carboxylic Acid - CAS 15936-74-0

Catalog:	BB011527
Product Name:	5-Chloro-7-methylindole-2-carboxylic Acid
CAS:	15936-74-0
Synonyms:	5-chloro-7-methyl-1H-indole-2-carboxylic acid; 5-chloro-7-methyl-1H-indole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-7-methyl-1H-indole-2-carboxylic acid
Description:	5-Chloro-7-methylindole-2-carboxylic Acid (CAS# 15936-74-0) is a useful research chemical.
Molecular Weight:	209.63
Molecular Formula:	C10H8ClNO2
Canonical SMILES:	CC1=C2C(=CC(=C1)Cl)C=C(N2)C(=O)O
InChI:	InChI=1S/C10H8ClNO2/c1-5-2-7(11)3-6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14)
InChI Key:	KCHVBNGYTXIUNL-UHFFFAOYSA-N
LogP:	2.82790

Publication Number	Title	Priority Date
AU-2018361364-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102
CA-3081386-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102
TW-201930315-A	Novel highly active amino-thiazole-substituted guanidino-2-carboxamide with anti-hepatitis B virus (HBV) activity	20171102
WO-2019086141-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102
AU-2018361364-B2	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0243562
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	209.0243562
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9