AG000GYH

1158503-82-2 | 1H-Indole-2-carboxylic acid, 7-bromo-, methyl ester

AG000GYH

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CAS Number	1158503-82-2
Catalog Number	AG000GYH(AGN-PC-07YK4J)
Chemical Name	1H-Indole-2-carboxylic acid, 7-bromo-, methyl ester
IUPAC Name	methyl 7-bromo-1H-indole-2-carboxylate
InChI	InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-6-3-2-4-7(11)9(6)12-8/h2-5,12H,1H3
InChI Key	CVBRWYSFWORSON-UHFFFAOYSA-N
MDL Number	MFCD11111832
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	BrC2=C1[NH]C(=CC1=CC=C2)C(=O)OC
Synonyms	methyl 7-bromo-1H-indole-2-carboxylate, 1158503-82-2, AK-24951, SCHEMBL18512251, CTK4A9517, KS-00000HRY, DTXSID70676377, Methyl 7-bromoindole-2-carboxyate, ACT03611, ANW-50360, CM-593, MFCD11111832, ZINC58823754, AKOS015834668, FCH1402819, RP29049, BR-24951, CJ-20830, DS-10553, SC-22434, methyl 7-bromanyl-1H-indole-2-carboxylate, AB0034899, AJ-113180, AX8160604, TR-034135, 4CH-008616, ST24031175, X9130, S-5299, 7-bromo-1H-indole-2-carboxylic acid methyl ester, A811110, I10-0389, I10-0567, J-522574, 1H-Indole-2-carboxylic acid, 7-bromo-, methyl ester, C10H8BrNO2, Methyl7-bromo-1H-indole-2-carboxylate, 16948-16-6,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.083g/mol
Monoisotopic Mass	252.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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