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92605-80-6 | Urea, N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso-
CAS No: 92605-80-6 Catalog No: AG006G2A MDL No:
Product Description
Catalog Number:
AG006G2A
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(2,6-dihydroxycyclohexyl)-N-nitroso-
CAS Number:
92605-80-6
Molecular Formula:
C9H16ClN3O4
Molecular Weight:
265.6940
IUPAC Name:
1-(2-chloroethyl)-3-(2,6-dihydroxycyclohexyl)-1-nitrosourea
InChI:
InChI=1S/C9H16ClN3O4/c10-4-5-13(12-17)9(16)11-8-6(14)2-1-3-7(8)15/h6-8,14-15H,1-5H2,(H,11,16)
InChI Key:
BQIFCAGMUAMYDV-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NC1C(O)CCCC1O)N=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.694g/mol
Monoisotopic Mass:
265.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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