AG002BF5

19829-31-3 | 1-Propanone, 1-(3-bromophenyl)-

AG002BF5

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CAS Number	19829-31-3
Catalog Number	AG002BF5(AGN-PC-0JLXBJ)
Chemical Name	1-Propanone, 1-(3-bromophenyl)-
EC Number	243-353-8
IUPAC Name	1-(3-bromophenyl)propan-1-one
InChI	InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key	QSHLXVTVXQTHBS-UHFFFAOYSA-N
MDL Number	MFCD00000084
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	CCC(C1=CC=CC(Br)=C1)=O
Synonyms	3'-Bromopropiophenone, 1-(3-bromophenyl)propan-1-one, 19829-31-3, 1-Propanone, 1-(3-bromophenyl)-, m-Bromopropiophenone, 3-BROMOPHENYL ETHYL KETONE, 1-(3-Bromophenyl)-1-propanone, ATTERCOP-CHM AT106303, QSHLXVTVXQTHBS-UHFFFAOYSA-N, MFCD00000084, EINECS 243-353-8, PubChem19020, AC1L3FDK, ACMC-209f2u, AC1Q2RO0, AC1Q5DA9, 3'-Bromopropiophenone, 96%, SCHEMBL2203444, DTXSID5066536, QSHLXVTVXQTHBS-UHFFFAOYSA-, TIMTEC-BB SBB012414, OTAVA-BB 1499631, ZINC157209, 1-(3-bromo-phenyl)-propan-1-one, 1-(3-Bromophenyl)-1-propanone #, BCP23711, ANW-23812, LABOTEST-BB LT01143368, SBB012414, AKOS000120571, AS03827, MCULE-6804062892, 1-(3-BROMOPHENYL)-1-OXOPROPANE, AJ-14947, AS-16173, BC004421, S975, ST060495, TC-112557, FT-0615247, K-5800, W-107673, I14-49765, Z220533742, InChI=1/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3, 3-Bromopropiophenone, C9H9BrO, C9-H9-Br-O, KST-1B2886, CID88272, AR-1B1347, ZINC00157209, B1888, 30453-68-0,

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	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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