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115700-21-5 | Ethanesulfonic acid, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-
CAS No: 115700-21-5 Catalog No: AG000GS2 MDL No:
Product Description
Catalog Number:
AG000GS2
Chemical Name:
Ethanesulfonic acid, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-
CAS Number:
115700-21-5
Molecular Formula:
C5H10ClN3O5S
Molecular Weight:
259.6680
IUPAC Name:
2-aminoethanesulfonic acid;1-(2-chloroethyl)-1-nitrosourea
InChI:
InChI=1S/C3H6ClN3O2.C2H7NO3S/c4-1-2-7(6-9)3(5)8;3-1-2-7(4,5)6/h1-2H2,(H2,5,8);1-3H2,(H,4,5,6)
InChI Key:
FHQJVKUULDVVQL-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NCCS(=O)(=O)O)N=O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.692g/mol
Monoisotopic Mass:
276.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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