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15145-42-3 | Urea, N-(2-chloroethyl)-N'-(3,4-dichlorophenyl)-N-nitroso-
CAS No: 15145-42-3 Catalog No: AG001NCX MDL No:
Product Description
Catalog Number:
AG001NCX
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(3,4-dichlorophenyl)-N-nitroso-
CAS Number:
15145-42-3
Molecular Formula:
C9H8Cl3N3O2
Molecular Weight:
296.5377
IUPAC Name:
1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
InChI:
InChI=1S/C9H8Cl3N3O2/c10-3-4-15(14-17)9(16)13-6-1-2-7(11)8(12)5-6/h1-2,5H,3-4H2,(H,13,16)
InChI Key:
NCLKIDZGWJFIDA-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)N=O
NSC Number:
106531
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.968g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.532g/mol
Monoisotopic Mass:
294.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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