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Home > Fluorides > 872604-15-4
872604-15-4 | 1,1'-Biphenyl, 2,4-dinitro-3'-(trifluoromethyl)-
CAS No: 872604-15-4 Catalog No: AG004PYR MDL No:
Product Description
Catalog Number:
AG004PYR
Chemical Name:
1,1'-Biphenyl, 2,4-dinitro-3'-(trifluoromethyl)-
CAS Number:
872604-15-4
Molecular Formula:
C13H7F3N2O4
Molecular Weight:
312.2009
IUPAC Name:
2,4-dinitro-1-[3-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C13H7F3N2O4/c14-13(15,16)9-3-1-2-8(6-9)11-5-4-10(17(19)20)7-12(11)18(21)22/h1-7H
InChI Key:
JEMTUNFLWSGRLC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1c1cccc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.204g/mol
Monoisotopic Mass:
312.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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