AG003CZL

582-83-2 | 1-(4-Fluorophenyl)butan-1-one

AG003CZL

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CAS Number	582-83-2
Catalog Number	AG003CZL(AGN-PC-0JL8I3)
Chemical Name	1-(4-Fluorophenyl)butan-1-one
EC Number	209-492-3
IUPAC Name	1-(4-fluorophenyl)butan-1-one
InChI	InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChI Key	QHDXPJMOWRLLRV-UHFFFAOYSA-N
MDL Number	MFCD00017967
Molecular Formula	C10H11FO
Molecular Weight	166.1921
SMILES	CCCC(C1=CC=C(F)C=C1)=O
Synonyms	1-(4-fluorophenyl)butan-1-one, 582-83-2, 4'-Fluorobutyrophenone, Butyrophenone, 4'-fluoro-, 1-(4-FLUORO-PHENYL)-BUTAN-1-ONE, p-Fluorobutyrophenone, 1-(4-Fluorophenyl)-1-butanone, 1-Butanone, 1-(4-fluorophenyl)-, QHDXPJMOWRLLRV-UHFFFAOYSA-N, MFCD00017967, EINECS 209-492-3, ACMC-20apap, 4''-Fluorobutyrophenone, AC1Q2UEW, AC1L29UY, AC1Q5E75, SCHEMBL2490498, CTK5A8113, KS-00000LSV, DTXSID80206947, 1-Butanone,1-(4-fluorophenyl)-, ST031, ZINC394381, 1-(4-Fluorophenyl)-1-butanone #, 582-83-2 4'-fluorobutyrophenone, 6042AE, BBL100679, SBB088007, STL554473, AKOS005254798, MCULE-7791416033, VZ20949, AK324839, DS-11552, ZB012366, DB-018585, TR-030577, AM20040775, FT-0632436, ST50409643, C-5391, W-105403, I01-10530, C10H11FO, 1- -BUTAN-1-ONE, C10-H11-F-O, CID68498, AR-1I1455, ZINC00394381, 6003-54-9,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.195g/mol
Monoisotopic Mass	166.079g/mol
Rotatable Bond Count	3
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 statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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