AG00BBNA

21906-32-1 | 3-Bromophenylacetone

AG00BBNA

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CAS Number	21906-32-1
Catalog Number	AG00BBNA(AGN-PC-0KK6CS)
Chemical Name	3-Bromophenylacetone
IUPAC Name	1-(3-bromophenyl)propan-2-one
InChI	InChI=1S/C9H9BrO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChI Key	FQIZFAJMBXZVOL-UHFFFAOYSA-N
MDL Number	MFCD00210400
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	CC(CC1=CC=CC(Br)=C1)=O
Synonyms	1-(3-bromophenyl)propan-2-one, 3-Bromophenylacetone, 21906-32-1, 1-(3-bromophenyl)-2-propanone, 1-(3-bromophenyl)acetone, 2-Propanone, 1-(3-bromophenyl)-, 3-Bromophenylacetone, 98+%, 3-bromophenyl acetone, AC1MC0CH, AC1Q1K4E, KSC492M0H, SCHEMBL609893, Jsp004451, 3-bromophenylacetone, AldrichCPR, CTK3J2603, DTXSID00370119, FQIZFAJMBXZVOL-UHFFFAOYSA-N, 1-(3-bromo-phenyl)propan-2-one, CS-B0132, KS-00000NJ7, ZINC2558075, ANW-44064, MFCD00210400, SBB005833, AKOS005255665, ACN-049083, DS-2105, LS11254, MCULE-6613122699, MP-1692, AJ-40095, AK-94137, BC005133, CJ-09439, AB0068798, RT-000803, ST2408552, TL8001816, 4CH-015516, FT-0605608, ST50406067, Z4417, A810120, I14-92356, Z1436473523, C9H9BrO, ZINC02558075, CID2734093, 160189-81-1,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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