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845781-08-0 | 3,4-DIFLUORO-3',5'-DIMETHYL-4'-METHOXYBENZOPHENONE
CAS No: 845781-08-0 Catalog No: AG004UO1 MDL No:MFCD06201565
Product Description
Catalog Number:
AG004UO1
Chemical Name:
3,4-DIFLUORO-3',5'-DIMETHYL-4'-METHOXYBENZOPHENONE
CAS Number:
845781-08-0
Molecular Formula:
C16H14F2O2
Molecular Weight:
276.2780
MDL Number:
MFCD06201565
IUPAC Name:
(3,4-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
InChI:
InChI=1S/C16H14F2O2/c1-9-6-12(7-10(2)16(9)20-3)15(19)11-4-5-13(17)14(18)8-11/h4-8H,1-3H3
InChI Key:
NTEYQUCAZAUNNI-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(=O)c1ccc(c(c1)F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.283g/mol
Monoisotopic Mass:
276.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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