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Home > Nitro Compounds > 79889-11-5
79889-11-5 | 1,1':3',1''-Terphenyl, 4'-methyl-2'-nitro-5'-phenyl-
CAS No: 79889-11-5 Catalog No: AG005FA9 MDL No:
Product Description
Catalog Number:
AG005FA9
Chemical Name:
1,1':3',1''-Terphenyl, 4'-methyl-2'-nitro-5'-phenyl-
CAS Number:
79889-11-5
Molecular Formula:
C25H19NO2
Molecular Weight:
365.4239
IUPAC Name:
2-methyl-4-nitro-1,3,5-triphenylbenzene
InChI:
InChI=1S/C25H19NO2/c1-18-22(19-11-5-2-6-12-19)17-23(20-13-7-3-8-14-20)25(26(27)28)24(18)21-15-9-4-10-16-21/h2-17H,1H3
InChI Key:
VDQFQIRRGSXQML-UHFFFAOYSA-N
SMILES:
Cc1c(cc(c(c1c1ccccc1)[N+](=O)[O-])c1ccccc1)c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.432g/mol
Monoisotopic Mass:
365.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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