5-Bromo-7-chloroindole-2-carboxylic Acid - CAS 383132-31-8

Catalog:	BB023631
Product Name:	5-Bromo-7-chloroindole-2-carboxylic Acid
CAS:	383132-31-8
Synonyms:	5-bromo-7-chloro-1H-indole-2-carboxylic acid; 5-bromo-7-chloro-1H-indole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-7-chloro-1H-indole-2-carboxylic acid
Description:	5-Bromo-7-chloroindole-2-carboxylic Acid (CAS# 383132-31-8) is a useful research chemical.
Molecular Weight:	274.50
Molecular Formula:	C9H5BrClNO2
Canonical SMILES:	C1=C2C=C(NC2=C(C=C1Br)Cl)C(=O)O
InChI:	InChI=1S/C9H5BrClNO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
InChI Key:	KNMMKGRZJTYUGJ-UHFFFAOYSA-N
LogP:	3.28200

Publication Number	Title	Priority Date
AU-2008287421-A1	Nitrogen containing bicyclic chemical entities for treating viral infections	20070810
CA-2695989-A1	Certain nitrogen containing bicyclic chemical entities for treating viral infections	20070810
CN-101842098-A	The nitrogenous bicyclo-chemical entities that is used for the treatment of viral infection	20070810
EP-2187883-A2	Nitrogen containing bicyclic chemical entities for treating viral infections	20070810
KR-20100053647-A	Nitrogen-containing bicyclic compounds for treating viral infections	20070810

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.91922
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	272.91922
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2