AG00AOKL

187657-92-7 | 1-(Benzofuran-3-yl)-2-bromoethanone

AG00AOKL

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CAS Number	187657-92-7
Catalog Number	AG00AOKL(AGN-PC-0KKXMU)
Chemical Name	1-(Benzofuran-3-yl)-2-bromoethanone
IUPAC Name	1-(1-benzofuran-3-yl)-2-bromoethanone
InChI	InChI=1S/C10H7BrO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
InChI Key	WVHFTONHSRLBGL-UHFFFAOYSA-N
MDL Number	MFCD03407369
Molecular Formula	C10H7BrO2
Molecular Weight	239.0654
SMILES	BrCC(=O)C1=COC2=C1C=CC=C2
Synonyms	187657-92-7, 1-(Benzofuran-3-yl)-2-bromoethanone, 1-(1-Benzofuran-3-yl)-2-bromo-1-ethanone, 1-(1-benzofuran-3-yl)-2-bromoethanone, (1-Benzofuran-3-yl)-2-bromo-1-ethanone, 1-(benzofuran-3-yl)-2-bromoethan-1-one, 1-(1-benzofuran-3-yl)-2-bromoethan-1-one, PubChem7014, AC1MCR2Q, SCHEMBL1903688, 3-(2-bromoacetyl)benzo[b]furan, CTK4D9588, DTXSID90380202, WVHFTONHSRLBGL-UHFFFAOYSA-N, ZINC159054, 1-benzofuran-3-yl-2-bromo-ethanone, ANW-63366, MFCD03407369, SBB099037, AKOS005215847, RP05798, RTR-008676, Ethanone,1-(3-benzofuranyl)-2-bromo-, AJ-15459, AS-31425, BC003218, ZB007194, 1-benzo[b]furan-3-yl-2-bromoethan-1-one, DB-017000, TR-008676, BB 0261938, FT-0605464, Y8086, W-206368, C10H7BrO2, ZINC00159054, CID2776580,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.963g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.068g/mol
Monoisotopic Mass	237.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number