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86781-39-7 | Urea, N,N-dibutyl-N'-(2-chloro-4-nitrophenyl)-
CAS No: 86781-39-7 Catalog No: AG004JI3 MDL No:
Product Description
Catalog Number:
AG004JI3
Chemical Name:
Urea, N,N-dibutyl-N'-(2-chloro-4-nitrophenyl)-
CAS Number:
86781-39-7
Molecular Formula:
C15H22ClN3O3
Molecular Weight:
327.8065
IUPAC Name:
1,1-dibutyl-3-(2-chloro-4-nitrophenyl)urea
InChI:
InChI=1S/C15H22ClN3O3/c1-3-5-9-18(10-6-4-2)15(20)17-14-8-7-12(19(21)22)11-13(14)16/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,20)
InChI Key:
ZOKDXPZFULFCFB-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])CCCC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.809g/mol
Monoisotopic Mass:
327.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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