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Home > Nitro Compounds > 86764-64-9
86764-64-9 | Urea, N'-(3-nitrophenyl)-N,N-bis(phenylmethyl)-
CAS No: 86764-64-9 Catalog No: AG004SBG MDL No:
Product Description
Catalog Number:
AG004SBG
Chemical Name:
Urea, N'-(3-nitrophenyl)-N,N-bis(phenylmethyl)-
CAS Number:
86764-64-9
Molecular Formula:
C21H19N3O3
Molecular Weight:
361.3939
IUPAC Name:
1,1-dibenzyl-3-(3-nitrophenyl)urea
InChI:
InChI=1S/C21H19N3O3/c25-21(22-19-12-7-13-20(14-19)24(26)27)23(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,22,25)
InChI Key:
TTXHUJLSUGTFBS-UHFFFAOYSA-N
SMILES:
O=C(N(Cc1ccccc1)Cc1ccccc1)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.401g/mol
Monoisotopic Mass:
361.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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