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Home > Nitro Compounds > 89058-97-9
89058-97-9 | 5-Pyrimidinecarbonitrile, 4-(4-nitrophenyl)-2,6-diphenyl-
CAS No: 89058-97-9 Catalog No: AG00429G MDL No:
Product Description
Catalog Number:
AG00429G
Chemical Name:
5-Pyrimidinecarbonitrile, 4-(4-nitrophenyl)-2,6-diphenyl-
CAS Number:
89058-97-9
Molecular Formula:
C23H14N4O2
Molecular Weight:
378.3829
IUPAC Name:
4-(4-nitrophenyl)-2,6-diphenylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C23H14N4O2/c24-15-20-21(16-7-3-1-4-8-16)25-23(18-9-5-2-6-10-18)26-22(20)17-11-13-19(14-12-17)27(28)29/h1-14H
InChI Key:
USMBGTYUMBWOJM-UHFFFAOYSA-N
SMILES:
N#Cc1c(nc(nc1c1ccccc1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.112g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.391g/mol
Monoisotopic Mass:
378.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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