AG00108C

13211-01-3 | 1-Butanone, 1-[1,1'-biphenyl]-4-yl-

AG00108C

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CAS Number	13211-01-3
Catalog Number	AG00108C(AGN-PC-0JLUE8)
Chemical Name	1-Butanone, 1-[1,1'-biphenyl]-4-yl-
EC Number	236-178-3
IUPAC Name	1-(4-phenylphenyl)butan-1-one
InChI	InChI=1S/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
InChI Key	WOFNMZNJGZJHJO-UHFFFAOYSA-N
MDL Number	MFCD00041352
Molecular Formula	C16H16O
Molecular Weight	224.2976
NSC Number	24804
SMILES	O=C(C1=CC=C(C2=CC=CC=C2)C=C1)CCC
Synonyms	4-Butyrylbiphenyl, 13211-01-3, 4'-Phenylbutyrophenone, 1-(4-phenylphenyl)butan-1-one, Butyrophenone, 4'-phenyl-, NSC24804, EINECS 236-178-3, p-Phenylbutyrophenone, ACMC-209bom, 1-Butanone, 1-[1,1'-biphenyl]-4-yl-, timtec-bb sbb005766, 4-butyrylbiphenyl 99+%, Bionet2_000536, 1-p-Biphenylyl-1-butanone, AC1Q5GI5, 1-biphenyl-4-ylbutan-1-one, MLS000326852, 1-(4-Biphenylyl)-1-butanone, SCHEMBL3733726, CHEMBL1499164, 1-(biphenyl-4-yl)butan-1-one, CTK4B7736, WOFNMZNJGZJHJO-UHFFFAOYSA-, DTXSID70157358, 1-Butanone,1'-biphenyl]-4-yl-, HMS1365I08, HMS2293H23, AC1L3505, ZINC1405430, ANW-19412, MFCD00041352, NSC-24804, AKOS005080846, MCULE-6034645123, VZ21006, 1-[1,1'-biphenyl]-4-yl-1-butanone, NCGC00246580-01, 1-Butanone,1-[1,1'-biphenyl]-4-yl-, SMR000179361, 1-{[1,1'-biphenyl]-4-yl}butan-1-one, TC-108157, FT-0656966, 12N-223, InChI=1/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3, 4-Phenylbutyrophenone, 2-Phenylbutyrophenone, 1,4-Diphenyl-1-butanone, 4/'-Phenylbutyrophenone, CID83235, AR-1G1405, C16-H16-O, 1-(BIPHENYL-4-YL)PENTAN-1-ONE, B1956, 55431-77-1,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.12g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.303g/mol
Monoisotopic Mass	224.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number