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88452-22-6 | Urea, N-butyl-N'-(3-chlorophenyl)-N-(phenylmethyl)-
CAS No: 88452-22-6 Catalog No: AG004DZH MDL No:
Product Description
Catalog Number:
AG004DZH
Chemical Name:
Urea, N-butyl-N'-(3-chlorophenyl)-N-(phenylmethyl)-
CAS Number:
88452-22-6
Molecular Formula:
C18H21ClN2O
Molecular Weight:
316.8251
IUPAC Name:
1-benzyl-1-butyl-3-(3-chlorophenyl)urea
InChI:
InChI=1S/C18H21ClN2O/c1-2-3-12-21(14-15-8-5-4-6-9-15)18(22)20-17-11-7-10-16(19)13-17/h4-11,13H,2-3,12,14H2,1H3,(H,20,22)
InChI Key:
SAPLBENRNUWLDZ-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1cccc(c1)Cl)Cc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.829g/mol
Monoisotopic Mass:
316.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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