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13206-67-2 | Urea, N-(2-chloroethyl)-N-nitroso-N'-phenyl-
CAS No: 13206-67-2 Catalog No: AG00104Y MDL No:
Product Description
Catalog Number:
AG00104Y
Chemical Name:
Urea, N-(2-chloroethyl)-N-nitroso-N'-phenyl-
CAS Number:
13206-67-2
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
IUPAC Name:
1-(2-chloroethyl)-1-nitroso-3-phenylurea
InChI:
InChI=1S/C9H10ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)
InChI Key:
NTFJBCLCDARIRQ-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1ccccc1)N=O
NSC Number:
74253
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.648g/mol
Monoisotopic Mass:
227.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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