Home Carboxys 3-Chloro-4-isothiazolecarboxylic acid

3-Chloro-4-isothiazolecarboxylic acid

CAS No.:
933690-30-3
Catalog Number:
AG006G7Y
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
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Product Description
Catalog Number:
AG006G7Y
Chemical Name:
3-Chloro-4-isothiazolecarboxylic acid
CAS Number:
933690-30-3
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
MDL Number:
MFCD10566768
IUPAC Name:
3-chloro-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H2ClNO2S/c5-3-2(4(7)8)1-9-6-3/h1H,(H,7,8)
InChI Key:
ZXVLOGPHTXPJCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1csnc1Cl
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.949g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.575g/mol
Monoisotopic Mass:
162.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties