AG003QDC

103858-55-5 | Ethyl 6-bromo-1H-indole-3-carboxylate

AG003QDC

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CAS Number	103858-55-5
Catalog Number	AG003QDC(AGN-PC-042ZUU)
Chemical Name	Ethyl 6-bromo-1H-indole-3-carboxylate
IUPAC Name	ethyl 6-bromo-1H-indole-3-carboxylate
InChI	InChI=1S/C11H10BrNO2/c1-2-15-11(14)9-6-13-10-5-7(12)3-4-8(9)10/h3-6,13H,2H2,1H3
InChI Key	GBTDSENHTMLWAI-UHFFFAOYSA-N
MDL Number	MFCD11617101
Molecular Formula	C11H10BrNO2
Molecular Weight	268.1066
SMILES	O=C(OCC)C1=CNC=2C=C(Br)C=CC21
Synonyms	ethyl 6-bromo-1H-indole-3-carboxylate, 103858-55-5, Ethyl 6-Bromoindole-3-carboxylate, AK157771, 6-bromo-1h-indole-3-carboxylic acid ethyl ester, 1H-Indole-3-carboxylic acid, 6-bromo-, ethyl ester, SCHEMBL6490095, KS-00000BSB, ethyl 6-bromo-3-indolecarboxylate, 4107AJ, MFCD11617101, ZINC13379655, AKOS024262246, CS-W003793, DS-9108, TRA0078952, ETHYL6-BROMOINDOLE-3-CARBOXYLATE, AC-29417, AJ-63763, CJ-14374, DA-16048, QC-10108, SC-61140, SY025071, AB0055873, AX8268906, 6-Bromoindole-3-carboxylic acid ethyl ester, FT-0724643, ST24047125, Z-3575, MFCD11617101 (97+%), 1H-INDOLE-3-CARBOXYLIC ACID, 6-BROMO-ETHYL ESTER, 1H-INDOLE-3-CARBOXYLIC ACID,6-BROMO-.ETHYL ESTER, C11H10BrNO2,

Complexity	247
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	1
Isotope Atom Count	0
Molecular Weight	268.11g/mol
Monoisotopic Mass	266.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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