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82744-89-6 | 3-(3-chlorophenyl)-1,1-dicyclohexylurea
CAS No: 82744-89-6 Catalog No: AG004UUB MDL No:
Product Description
Catalog Number:
AG004UUB
Chemical Name:
3-(3-chlorophenyl)-1,1-dicyclohexylurea
CAS Number:
82744-89-6
Molecular Formula:
C19H27ClN2O
Molecular Weight:
334.8835
IUPAC Name:
3-(3-chlorophenyl)-1,1-dicyclohexylurea
InChI:
InChI=1S/C19H27ClN2O/c20-15-8-7-9-16(14-15)21-19(23)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13H2,(H,21,23)
InChI Key:
SJGQQUIRPBJPIK-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NC(=O)N(C1CCCCC1)C1CCCCC1
NSC Number:
33749
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.888g/mol
Monoisotopic Mass:
334.181g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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