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Home > Nitro Compounds > 88451-43-8
88451-43-8 | Urea, N-butyl-N'-(2,4-dimethylphenyl)-N-[(4-nitrophenyl)methyl]-
CAS No: 88451-43-8 Catalog No: AG004EHT MDL No:
Product Description
Catalog Number:
AG004EHT
Chemical Name:
Urea, N-butyl-N'-(2,4-dimethylphenyl)-N-[(4-nitrophenyl)methyl]-
CAS Number:
88451-43-8
Molecular Formula:
C20H25N3O3
Molecular Weight:
355.4308
IUPAC Name:
1-butyl-3-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]urea
InChI:
InChI=1S/C20H25N3O3/c1-4-5-12-22(14-17-7-9-18(10-8-17)23(25)26)20(24)21-19-11-6-15(2)13-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,24)
InChI Key:
PUEDPDVOCMBBBK-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1C)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.19g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.438g/mol
Monoisotopic Mass:
355.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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