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Home > Nitro Compounds > 77585-89-8
77585-89-8 | Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl-
CAS No: 77585-89-8 Catalog No: AG005GPE MDL No:
Product Description
Catalog Number:
AG005GPE
Chemical Name:
Urea,N-methyl-N'-(4-nitrophenyl)-N-phenyl-
CAS Number:
77585-89-8
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
1-methyl-3-(4-nitrophenyl)-1-phenylurea
InChI:
InChI=1S/C14H13N3O3/c1-16(12-5-3-2-4-6-12)14(18)15-11-7-9-13(10-8-11)17(19)20/h2-10H,1H3,(H,15,18)
InChI Key:
VRTHQXNFFIFWHS-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
NSC Number:
112710
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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