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25629-58-7 | 5-Chloro-3(2H)-isothiazolone
CAS No: 25629-58-7 Catalog No: AG0037QN MDL No:MFCD16658894
Product Description
Catalog Number:
AG0037QN
Chemical Name:
5-Chloro-3(2H)-isothiazolone
CAS Number:
25629-58-7
Molecular Formula:
C3H2ClNOS
Molecular Weight:
135.5721
MDL Number:
MFCD16658894
IUPAC Name:
5-chloro-1,2-thiazol-3-one
InChI:
InChI=1S/C3H2ClNOS/c4-2-1-3(6)5-7-2/h1H,(H,5,6)
InChI Key:
XFIPRDRBFGJGIZ-UHFFFAOYSA-N
SMILES:
Clc1cc(=O)[nH]s1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.955g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.565g/mol
Monoisotopic Mass:
134.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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