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Home > Fluorides > 1019996-86-1
1019996-86-1 | 1,1'-Biphenyl, 4-nitro-4'-(trifluoromethoxy)-
CAS No: 1019996-86-1 Catalog No: AG00067Q MDL No:MFCD21609608
Product Description
Catalog Number:
AG00067Q
Chemical Name:
1,1'-Biphenyl, 4-nitro-4'-(trifluoromethoxy)-
CAS Number:
1019996-86-1
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
MDL Number:
MFCD21609608
IUPAC Name:
1-nitro-4-[4-(trifluoromethoxy)phenyl]benzene
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)20-12-7-3-10(4-8-12)9-1-5-11(6-2-9)17(18)19/h1-8H
InChI Key:
ANTKACMMIPBFAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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