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Home > Nitro Compounds > 188911-50-4
188911-50-4 | Urea, N-[(2-nitrophenyl)methyl]-N'-(phenylmethyl)-
CAS No: 188911-50-4 Catalog No: AG002HI0 MDL No:
Product Description
Catalog Number:
AG002HI0
Chemical Name:
Urea, N-[(2-nitrophenyl)methyl]-N'-(phenylmethyl)-
CAS Number:
188911-50-4
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
IUPAC Name:
1-benzyl-3-[(2-nitrophenyl)methyl]urea
InChI:
InChI=1S/C15H15N3O3/c19-15(16-10-12-6-2-1-3-7-12)17-11-13-8-4-5-9-14(13)18(20)21/h1-9H,10-11H2,(H2,16,17,19)
InChI Key:
IAZPBCJVNLDDIU-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccccc1[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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