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89100-23-2 | Methanone, (4-chloro-3-nitrophenyl)[4-(trifluoromethyl)phenyl]-
CAS No: 89100-23-2 Catalog No: AG003YJX MDL No:
Product Description
Catalog Number:
AG003YJX
Chemical Name:
Methanone, (4-chloro-3-nitrophenyl)[4-(trifluoromethyl)phenyl]-
CAS Number:
89100-23-2
Molecular Formula:
C14H7ClF3NO3
Molecular Weight:
329.6585
IUPAC Name:
(4-chloro-3-nitrophenyl)-[4-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C14H7ClF3NO3/c15-11-6-3-9(7-12(11)19(21)22)13(20)8-1-4-10(5-2-8)14(16,17)18/h1-7H
InChI Key:
MYVGLRYEDJUZOO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.007g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.659g/mol
Monoisotopic Mass:
329.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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