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844885-01-4 | 4-CHLORO-3',4'-DIFLUOROBENZOPHENONE
CAS No: 844885-01-4 Catalog No: AG0054R3 MDL No:
Product Description
Catalog Number:
AG0054R3
Chemical Name:
4-CHLORO-3',4'-DIFLUOROBENZOPHENONE
CAS Number:
844885-01-4
Molecular Formula:
C13H7ClF2O
Molecular Weight:
252.6439
IUPAC Name:
(4-chlorophenyl)-(3,4-difluorophenyl)methanone
InChI:
InChI=1S/C13H7ClF2O/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7H
InChI Key:
IKILLFQBPSUQAK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccc(c(c1)F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.645g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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