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13908-81-1 | Urea, 1-(2-chlorocyclohexyl)-3-methyl-, trans- (8CI)
CAS No: 13908-81-1 Catalog No: AG001A80 MDL No:
Product Description
Catalog Number:
AG001A80
Chemical Name:
Urea, 1-(2-chlorocyclohexyl)-3-methyl-, trans- (8CI)
CAS Number:
13908-81-1
Molecular Formula:
C8H15ClN2O
Molecular Weight:
190.6705
IUPAC Name:
1-(2-chlorocyclohexyl)-3-methylurea
InChI:
InChI=1S/C8H15ClN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h6-7H,2-5H2,1H3,(H2,10,11,12)
InChI Key:
WYNIPLSOPDHHQX-UHFFFAOYSA-N
SMILES:
CNC(=O)N[C@@H]1CCCC[C@H]1Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.671g/mol
Monoisotopic Mass:
190.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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