AG003L74

4981-63-9 | 4'-CHLOROBUTYROPHENONE

AG003L74

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CAS Number	4981-63-9
Catalog Number	AG003L74(AGN-PC-0JL9M7)
Chemical Name	4'-CHLOROBUTYROPHENONE
EC Number	225-631-0
IUPAC Name	1-(4-chlorophenyl)butan-1-one
InChI	InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChI Key	XLCJPQYALLFIPW-UHFFFAOYSA-N
MDL Number	MFCD00013647
Molecular Formula	C10H11ClO
Molecular Weight	182.6467
SMILES	C(=O)(CCC)c1ccc(cc1)Cl
Synonyms	4'-Chlorobutyrophenone, 4981-63-9, 1-(4-chlorophenyl)butan-1-one, p-Chlorobutyrophenone, 1-Butanone, 1-(4-chlorophenyl)-, Butyrophenone, 4'-chloro-, 4-Chlorophenyl propyl ketone, EINECS 225-631-0, AI3-04096, AC1L2DU1, AC1Q5E2Y, ACMC-1AL89, SCHEMBL318783, 1-(4-Chlorophenyl)-1-butanone, CTK1D8391, XLCJPQYALLFIPW-UHFFFAOYSA-, XLCJPQYALLFIPW-UHFFFAOYSA-N, ST032, ZINC394678, 1-(4-Chlorophenyl)-1-butanone #, KS-000012KX, 939-52-6 4'-chlorobutyrophenone, EINECS 213-362-1, ANW-30846, MFCD00013647, AKOS000120847, MCULE-8433216892, DB-051694, TC-119591, FT-0635497, ST50406282, V1725, I14-20505, I14-112663, InChI=1/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3, 4-Chlorobutyrophenone, C10H11ClO, C10-H11-Cl-O, AIDS017942, CID70321, AR-1K9762, C1547, 939-52-6, 72945-61-0,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.05g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.647g/mol
Monoisotopic Mass	182.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number