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128202-04-0 | Urea, N-(2-chloroethyl)-N-(2-hydroxyethyl)-N'-nitroso- (9CI)
CAS No: 128202-04-0 Catalog No: AG000XV9 MDL No:
Product Description
Catalog Number:
AG000XV9
Chemical Name:
Urea, N-(2-chloroethyl)-N-(2-hydroxyethyl)-N'-nitroso- (9CI)
CAS Number:
128202-04-0
Molecular Formula:
C5H10ClN3O3
Molecular Weight:
195.6042
IUPAC Name:
1-(2-chloroethyl)-1-(2-hydroxyethyl)-3-nitrosourea
InChI:
InChI=1S/C5H10ClN3O3/c6-1-2-9(3-4-10)5(11)7-8-12/h10H,1-4H2,(H,7,11,12)
InChI Key:
RWORFWDRLARUMU-UHFFFAOYSA-N
SMILES:
OCCN(C(=O)NN=O)CCCl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.603g/mol
Monoisotopic Mass:
195.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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