AG004UBH

860624-89-1 | 5-Bromo indole-7-carboxylic acid methyl ester

AG004UBH

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CAS Number	860624-89-1
Catalog Number	AG004UBH(AGN-PC-04Q5PJ)
Chemical Name	5-Bromo indole-7-carboxylic acid methyl ester
IUPAC Name	methyl 5-bromo-1H-indole-7-carboxylate
InChI	InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-7(11)4-6-2-3-12-9(6)8/h2-5,12H,1H3
InChI Key	YSFZPMNRVJTVIV-UHFFFAOYSA-N
MDL Number	MFCD08062511
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	O=C(C1=CC(Br)=CC2=C1NC=C2)OC
Synonyms	860624-89-1, Methyl 5-bromoindole-7-carboxylate, methyl 5-bromo-1H-indole-7-carboxylate, 5-Bromo indole-7-carboxylic acid methyl ester, 1H-Indole-7-carboxylicacid, 5-bromo-, methyl ester, AK-30145, 1H-Indole-7-carboxylic acid, 5-bromo-, methyl ester, Methyl 5-bromoindole-7-carboxyate, SCHEMBL553101, CTK5F6226, DTXSID80646526, YSFZPMNRVJTVIV-UHFFFAOYSA-N, ANW-52810, CM-515, MFCD08062511, ZINC14984797, AKOS015999913, FCH1386310, PB25020, QC-2893, AJ-66225, DS-11769, AB0069228, AX8102509, TC-141555, 4CH-000154, 5-Bromoindole-7-carboxylic acid methyl ester, AM20041257, FT-0647296, ST24033259, Z5207, 5-bromo-indole-7-carboxylic acid methyl ester, KS-00000442, Q-4997, 5-BROMO-1H-INDOLE-7-CARBOXYLIC ACID METHYL ESTER, C10H8BrNO2, Methyl5-bromoindole-7-carboxylate, 5-BROMOINDOLE-7-CARBOXYLICACIDMETHYLESTER, methyl 5-bromo-1H-indole-7-carboxylate, 95% - 1G 1g,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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