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13991-75-8 | Urea, N-(2-chloroethyl)-N'-(3-chlorophenyl)-N-nitroso-
CAS No: 13991-75-8 Catalog No: AG001BSP MDL No:
Product Description
Catalog Number:
AG001BSP
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(3-chlorophenyl)-N-nitroso-
CAS Number:
13991-75-8
Molecular Formula:
C9H9Cl2N3O2
Molecular Weight:
262.0927
IUPAC Name:
1-(2-chloroethyl)-3-(3-chlorophenyl)-1-nitrosourea
InChI:
InChI=1S/C9H9Cl2N3O2/c10-4-5-14(13-16)9(15)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,15)
InChI Key:
FZCWMUCYQVKDNA-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1cccc(c1)Cl)N=O
NSC Number:
80593
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.09g/mol
Monoisotopic Mass:
261.007g/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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