AG00DGVC

51012-64-7 | 2-bromo-3-methylacetophenone

AG00DGVC

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CAS Number	51012-64-7
Catalog Number	AG00DGVC(AGN-PC-0MXNY7)
Chemical Name	2-bromo-3-methylacetophenone
IUPAC Name	2-bromo-1-(3-methylphenyl)ethanone
InChI	InChI=1S/C9H9BrO/c1-7-3-2-4-8(5-7)9(11)6-10/h2-5H,6H2,1H3
InChI Key	BANFRNTVKCHZDE-UHFFFAOYSA-N
MDL Number	MFCD07364269
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	CC1=CC(C(CBr)=O)=CC=C1
Synonyms	51012-64-7, 2-Bromo-1-(m-tolyl)ethanone, 2-Bromo-1-m-tolyl-ethanone, 2-bromo-1-m-tolylethanone, 2-bromo-1-(3-methylphenyl)ethan-1-one, 2-bromo-1-(3-methylphenyl)ethanone, 2-bromo-3-methylacetophenone, 2-bromo-3'-methylacetophenone, 1-bromo-2-(3-methylphenyl)-2-oxoethane, 3-methylphenacyl bromide, 2-bromo-3'methylacetophenone, SCHEMBL230719, CTK8B6637, DTXSID40434522, 3'-Methyl-alpha-bromoacetophenone, BANFRNTVKCHZDE-UHFFFAOYSA-N, 2-bromo-1-(m-tolyl)ethan-1-one, 7064AB, ANW-53840, MFCD07364269, SBB079400, ZINC34116662, AKOS009359247, 2-bromanyl-1-(3-methylphenyl)ethanone, NE21740, QC-3902, Ethanone, 2-bromo-1-(3-methylphenyl)-, AJ-87034, BS-13491, SC-31822, TC-142585, AK00739049, FT-0650777, ST24027794, EN300-39719, A828396, I01-9121, C9H9BrO, CID10036129,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.074g/mol
Monoisotopic Mass	211.984g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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