| CAS Number | 857081-42-6 |
| Catalog Number | AG00IDR3(AGN-PC-0V1YGR) |
| Chemical Name | 2-Benzothiazolecarboxylic acid, 5-chloro-, sodium salt |
| IUPAC Name | sodium;5-chloro-1,3-benzothiazole-2-carboxylate |
| InChI | InChI=1S/C8H4ClNO2S.Na/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12;/h1-3H,(H,11,12);/q;+1/p-1 |
| InChI Key | NZPDPJARYQCYBZ-UHFFFAOYSA-M |
| MDL Number | MFCD23703168 |
| Molecular Formula | C8H3ClNNaO2S |
| Molecular Weight | 235.6227 |
| SMILES | [Na+].[O-]C(C1SC2=C(C=C(C=C2)Cl)N=1)=O |
| Synonyms | SODIUM 5-CHLOROBENZO[D]THIAZOLE-2-CARBOXYLATE,
857081-42-6,
sodium 5-chloro-1,3-benzothiazole-2-carboxylate,
5-chloro-benzothiazole-2-carboxylic acid sodium salt,
C8H4ClNO2S.Na,
SCHEMBL3621187,
NZPDPJARYQCYBZ-UHFFFAOYSA-M,
MFCD23703168,
AKOS027196487,
AB0073158,
V4035,
X-1780,
2-Benzothiazolecarboxylic acid, 5-chloro-, sodium salt,
Z2168541804,
3507-53-7,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.617g/mol |
| Monoisotopic Mass | 234.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number