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13909-09-6 | Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-
CAS No: 13909-09-6 Catalog No: AG001A8N MDL No:
Product Description
Catalog Number:
AG001A8N
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-
CAS Number:
13909-09-6
Molecular Formula:
C10H18ClN3O2
Molecular Weight:
247.7218
IUPAC Name:
1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea
InChI:
InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)
InChI Key:
FVLVBPDQNARYJU-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NC1CCC(CC1)C)N=O
UN Number:
3249
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.723g/mol
Monoisotopic Mass:
247.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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