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Home > Fluorides > 189575-69-7
189575-69-7 | 1,1'-Biphenyl, 2-nitro-4'-(trifluoromethyl)-
CAS No: 189575-69-7 Catalog No: AG002DS8 MDL No:
Product Description
Catalog Number:
AG002DS8
Chemical Name:
1,1'-Biphenyl, 2-nitro-4'-(trifluoromethyl)-
CAS Number:
189575-69-7
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
IUPAC Name:
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C13H8F3NO2/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17(18)19/h1-8H
InChI Key:
MZPWTCFOXPDZBH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1ccc(cc1)C(F)(F)F
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.207g/mol
Monoisotopic Mass:
267.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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