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13907-68-1 | Urea, N-(3-chloropropyl)-N'-cyclohexyl-N-nitroso-
CAS No: 13907-68-1 Catalog No: AG001A4X MDL No:
Product Description
Catalog Number:
AG001A4X
Chemical Name:
Urea, N-(3-chloropropyl)-N'-cyclohexyl-N-nitroso-
CAS Number:
13907-68-1
Molecular Formula:
C10H18ClN3O2
Molecular Weight:
247.7218
IUPAC Name:
1-(3-chloropropyl)-3-cyclohexyl-1-nitrosourea
InChI:
InChI=1S/C10H18ClN3O2/c11-7-4-8-14(13-16)10(15)12-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,15)
InChI Key:
JKJHNIHRRWHCMM-UHFFFAOYSA-N
SMILES:
ClCCCN(C(=O)NC1CCCCC1)N=O
NSC Number:
81701
Properties
Complexity:
232
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:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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