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13909-21-2 | Urea, N-(2-chloroethyl)-N'-(3-methoxyphenyl)-N-nitroso-
CAS No: 13909-21-2 Catalog No: AG001A8G MDL No:
Product Description
Catalog Number:
AG001A8G
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(3-methoxyphenyl)-N-nitroso-
CAS Number:
13909-21-2
Molecular Formula:
C10H12ClN3O3
Molecular Weight:
257.6736
IUPAC Name:
1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitrosourea
InChI:
InChI=1S/C10H12ClN3O3/c1-17-9-4-2-3-8(7-9)12-10(15)14(13-16)6-5-11/h2-4,7H,5-6H2,1H3,(H,12,15)
InChI Key:
IIGODIQYZQJBAG-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1cccc(c1)OC)N=O
NSC Number:
88720
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.674g/mol
Monoisotopic Mass:
257.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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