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Home > Nitro Compounds > 149340-93-2
149340-93-2 | Urea, N-[2-(4-nitrophenyl)ethyl]-N'-propyl-
CAS No: 149340-93-2 Catalog No: AG001LLC MDL No:MFCD11616329
Product Description
Catalog Number:
AG001LLC
Chemical Name:
Urea, N-[2-(4-nitrophenyl)ethyl]-N'-propyl-
CAS Number:
149340-93-2
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD11616329
IUPAC Name:
1-[2-(4-nitrophenyl)ethyl]-3-propylurea
InChI:
InChI=1S/C12H17N3O3/c1-2-8-13-12(16)14-9-7-10-3-5-11(6-4-10)15(17)18/h3-6H,2,7-9H2,1H3,(H2,13,14,16)
InChI Key:
ZGLMLRQJNKLJDG-UHFFFAOYSA-N
SMILES:
CCCNC(=O)NCCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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