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13908-94-6 | Urea, 3-(4-tert-butylcyclohexyl)-1-(2-fluoroethyl)-1-nitroso-, trans- (8CI)
CAS No: 13908-94-6 Catalog No: AG001A7O MDL No:
Product Description
Catalog Number:
AG001A7O
Chemical Name:
Urea, 3-(4-tert-butylcyclohexyl)-1-(2-fluoroethyl)-1-nitroso-, trans- (8CI)
CAS Number:
13908-94-6
Molecular Formula:
C13H24FN3O2
Molecular Weight:
273.3470
IUPAC Name:
3-(4-tert-butylcyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
InChI:
InChI=1S/C13H24FN3O2/c1-13(2,3)10-4-6-11(7-5-10)15-12(18)17(16-19)9-8-14/h10-11H,4-9H2,1-3H3,(H,15,18)
InChI Key:
FFOLQCIDDNNPAC-UHFFFAOYSA-N
SMILES:
FCCN(C(=O)N[C@@H]1CC[C@H](CC1)C(C)(C)C)N=O
NSC Number:
98653
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.185g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.352g/mol
Monoisotopic Mass:
273.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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