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80245-34-7 | 4-Nitro-4'-(trifluoromethyl)-1,1'-biphenyl
CAS No: 80245-34-7 Catalog No: AG005C9L MDL No:MFCD21609607
Product Description
Catalog Number:
AG005C9L
Chemical Name:
4-Nitro-4'-(trifluoromethyl)-1,1'-biphenyl
CAS Number:
80245-34-7
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
MDL Number:
MFCD21609607
IUPAC Name:
1-(4-nitrophenyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C13H8F3NO2/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(18)19/h1-8H
InChI Key:
AELKRIGVTQBRQU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
311
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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