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13908-93-5 | Urea, N'-cyclohexyl-N-(2-fluoroethyl)-N-nitroso-
CAS No: 13908-93-5 Catalog No: AG001A7P MDL No:
Product Description
Catalog Number:
AG001A7P
Chemical Name:
Urea, N'-cyclohexyl-N-(2-fluoroethyl)-N-nitroso-
CAS Number:
13908-93-5
Molecular Formula:
C9H16FN3O2
Molecular Weight:
217.2406
IUPAC Name:
3-cyclohexyl-1-(2-fluoroethyl)-1-nitrosourea
InChI:
InChI=1S/C9H16FN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChI Key:
SIJUHDYJDHLNLY-UHFFFAOYSA-N
SMILES:
FCCN(C(=O)NC1CCCCC1)N=O
NSC Number:
87974
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.244g/mol
Monoisotopic Mass:
217.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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