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Home > Nitro Compounds > 86943-83-1
86943-83-1 | Propanedinitrile, (4-nitrophenyl)(1,2,3-triphenyl-2-cyclopropen-1-yl)-
CAS No: 86943-83-1 Catalog No: AG004L4U MDL No:
Product Description
Catalog Number:
AG004L4U
Chemical Name:
Propanedinitrile, (4-nitrophenyl)(1,2,3-triphenyl-2-cyclopropen-1-yl)-
CAS Number:
86943-83-1
Molecular Formula:
C30H19N3O2
Molecular Weight:
453.4908
IUPAC Name:
2-(4-nitrophenyl)-2-(1,2,3-triphenylcycloprop-2-en-1-yl)propanedinitrile
InChI:
InChI=1S/C30H19N3O2/c31-20-29(21-32,24-16-18-26(19-17-24)33(34)35)30(25-14-8-3-9-15-25)27(22-10-4-1-5-11-22)28(30)23-12-6-2-7-13-23/h1-19H
InChI Key:
GTJRAYUZRMBADO-UHFFFAOYSA-N
SMILES:
N#CC(C1(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)(c1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
874
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.148g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.501g/mol
Monoisotopic Mass:
453.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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