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13908-90-2 | Urea, 1-(2-chlorocyclohexyl)-3-methyl-3-nitroso-, trans- (8CI)
CAS No: 13908-90-2 Catalog No: AG001A7S MDL No:
Product Description
Catalog Number:
AG001A7S
Chemical Name:
Urea, 1-(2-chlorocyclohexyl)-3-methyl-3-nitroso-, trans- (8CI)
CAS Number:
13908-90-2
Molecular Formula:
C8H14ClN3O2
Molecular Weight:
219.6687
IUPAC Name:
3-[(1R,2R)-2-chlorocyclohexyl]-1-methyl-1-nitrosourea
InChI:
InChI=1S/C8H14ClN3O2/c1-12(11-14)8(13)10-7-5-3-2-4-6(7)9/h6-7H,2-5H2,1H3,(H,10,13)/t6-,7-/m1/s1
InChI Key:
VTKDDPRXZGFVKA-RNFRBKRXSA-N
SMILES:
O=NN(C(=O)N[C@@H]1CCCC[C@H]1Cl)C
NSC Number:
87425
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.669g/mol
Monoisotopic Mass:
219.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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