Home Carboxys 4-Chloroisothiazole-5-carboxylic acid

4-Chloroisothiazole-5-carboxylic acid

CAS No.:
88982-87-0
Catalog Number:
AG004549
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
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Product Description
Catalog Number:
AG004549
Chemical Name:
4-Chloroisothiazole-5-carboxylic acid
CAS Number:
88982-87-0
Molecular Formula:
C4H2ClNO2S
Molecular Weight:
163.5822
MDL Number:
MFCD19301176
IUPAC Name:
4-chloro-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4H2ClNO2S/c5-2-1-6-9-3(2)4(7)8/h1H,(H,7,8)
InChI Key:
ATQDAONQAQHTEM-UHFFFAOYSA-N
SMILES:
OC(=O)c1sncc1Cl
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