Home Carboxes 1015070-97-9
1015070-97-9,MFCD19687659
Catalog No.:AA0004LD
1015070-97-9 | Benzo[d]isothiazole-6-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$614.00   $430.00
- +
500mg
95.0%
3 weeks  
$930.00   $651.00
- +
1g
95.0%
3 weeks  
$1,174.00   $822.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0004LD
Chemical Name:
Benzo[d]isothiazole-6-carboxylic acid
CAS Number:
1015070-97-9
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD19687659
IUPAC Name:
1,2-benzothiazole-6-carboxylic acid
InChI:
InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-4-9-12-7(6)3-5/h1-4H,(H,10,11)
InChI Key:
LDZASEWVKCRYOE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)snc2
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
Benzo[d]isothiazole-6-carboxylic acid 
1015070-97-9 
1,2-Benzisothiazole-6-carboxylic acid 
SCHEMBL8392322 
ZINC82871084 
AKOS022910775 
FCH1192473 
AJ-125668 
AX8290046 
Literature
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