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87750-61-6 | Methanone,(2-chloro-4-fluorophenyl)(4-fluorophenyl)-
CAS No: 87750-61-6 Catalog No: AG004IE4 MDL No:
Product Description
Catalog Number:
AG004IE4
Chemical Name:
Methanone,(2-chloro-4-fluorophenyl)(4-fluorophenyl)-
CAS Number:
87750-61-6
Molecular Formula:
C13H7ClF2O
Molecular Weight:
252.6439
IUPAC Name:
(2-chloro-4-fluorophenyl)-(4-fluorophenyl)methanone
InChI:
InChI=1S/C13H7ClF2O/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H
InChI Key:
XQFWXPFVJXIPIH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1ccc(cc1Cl)F
EC Number:
289-345-8
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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