AG003RRM

860457-92-7 | Methyl 3-bromoindole-6-carboxylate

AG003RRM

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CAS Number	860457-92-7
Catalog Number	AG003RRM(AGN-PC-09SGCI)
Chemical Name	Methyl 3-bromoindole-6-carboxylate
IUPAC Name	methyl 3-bromo-1H-indole-6-carboxylate
InChI	InChI=1S/C10H8BrNO2/c1-14-10(13)6-2-3-7-8(11)5-12-9(7)4-6/h2-5,12H,1H3
InChI Key	YSCNGZSJIYDSOC-UHFFFAOYSA-N
MDL Number	MFCD11111848
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	Brc1c2c([nH]c1)cc(cc2)C(=O)OC
Synonyms	METHYL 3-BROMOINDOLE-6-CARBOXYLATE, 860457-92-7, methyl 3-bromo-1H-indole-6-carboxylate, AK-25193, METHYL3-BROMOINDOLE-6-CARBOXYLATE, SCHEMBL3878724, CTK8B5836, KS-00000BFO, DTXSID50693845, CS-D1640, ANW-50408, MFCD11111848, ZINC42684392, AKOS015835845, FCH1402825, RP29051, SB15316, TRA0034625, BR-25193, DS-10665, SY006255, AB0027055, AB1000731, AJ-104562, DB-014647, TR-026828, 4CH-009416, FT-0711226, ST24031034, W8842, S-3040, MFCD11111848 (97+%), 3-bromo-1H-Indole-6-carboxylic acid methyl ester, I10-0823, J-522160, null, C10H8BrNO2, 3-cyano-2-methylBenzoic acid methyl ester, 1H-Indole-6-carboxylic acid, 3-bromo-, methyl ester, 93340-09-1,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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