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77113-51-0 | 1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitroso-urea
CAS No: 77113-51-0 Catalog No: AG005666 MDL No:
Product Description
Catalog Number:
AG005666
Chemical Name:
1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitroso-urea
CAS Number:
77113-51-0
Molecular Formula:
C6H12ClN3O4
Molecular Weight:
225.6302
IUPAC Name:
1-(2-chloroethyl)-3-(2,3-dihydroxypropyl)-1-nitrosourea
InChI:
InChI=1S/C6H12ClN3O4/c7-1-2-10(9-14)6(13)8-3-5(12)4-11/h5,11-12H,1-4H2,(H,8,13)
InChI Key:
ACZWCVBYCKDESV-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NCC(CO)O)N=O
NSC Number:
356536
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.629g/mol
Monoisotopic Mass:
225.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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