AG003RRC

1186663-45-5 | Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate

AG003RRC

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CAS Number	1186663-45-5
Catalog Number	AG003RRC(AGN-PC-09T3YT)
Chemical Name	Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate
IUPAC Name	methyl 3-bromo-1-methylindole-6-carboxylate
InChI	InChI=1S/C11H10BrNO2/c1-13-6-9(12)8-4-3-7(5-10(8)13)11(14)15-2/h3-6H,1-2H3
InChI Key	BNUJUFJNYWGDTC-UHFFFAOYSA-N
MDL Number	MFCD12828701
Molecular Formula	C11H10BrNO2
Molecular Weight	268.1066
SMILES	O=C(C1=CC2=C(C=C1)C(Br)=CN2C)OC
Synonyms	1186663-45-5, METHYL 3-BROMO-1-METHYLINDOLE-6-CARBOXYLATE, Methyl 3-bromo-1-methyl-1H-indole-6-carboxylate, AK-82586, 3-BROMO-1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER, SCHEMBL19475662, KS-00000BFQ, DTXSID70700207, 7014AJ, MFCD12828701, ZINC42684394, AKOS015950583, TRA0087164, CS-11128, SY006256, AB1000732, AJ-104563, AX8173809, DB-014642, Methyl3-Bromo-1-methylindole-6-carboxylate, TC-308479, CS-0069076, FT-0756168, MFCD12828701 (95%), null, C11H10BrNO2, 826-36-8,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	268.11g/mol
Monoisotopic Mass	266.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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