AG009HME

1211594-25-0 | 1H-Indole-7-carboxylic acid, 4-broMo-

AG009HME

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CAS Number	1211594-25-0
Catalog Number	AG009HME(AGN-PC-0WD1B5)
Chemical Name	1H-Indole-7-carboxylic acid, 4-broMo-
IUPAC Name	4-bromo-1H-indole-7-carboxylic acid
InChI	InChI=1S/C9H6BrNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13)
InChI Key	CDTILRQKJWYBOM-UHFFFAOYSA-N
MDL Number	MFCD12547329
Molecular Formula	C9H6BrNO2
Molecular Weight	240.0534
SMILES	C(=O)(O)c1c2c(c(cc1)Br)cc[nH]2
Synonyms	4-Bromo-1H-indole-7-carboxylic acid, 1211594-25-0, 1H-Indole-7-carboxylic acid, 4-bromo-, AK128587, SCHEMBL2382490, DTXSID70731410, CDTILRQKJWYBOM-UHFFFAOYSA-N, MFCD12547329, ZINC89204651, AKOS016000911, DS-5894, FCH1367285, SB15149, DA-14329, AJ-128434, AX8250649, FT-0768155, Z2822, C9H6BrNO2,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.056g/mol
Monoisotopic Mass	238.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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