1,2-benzothiazole-7-carboxylic acid - CAS 1260382-80-6
Catalog: |
BB006297 |
Product Name: |
1,2-benzothiazole-7-carboxylic acid |
CAS: |
1260382-80-6 |
Synonyms: |
1,2-benzothiazole-7-carboxylic acid; 1,2-benzothiazole-7-carboxylic acid |
IUPAC Name: | 1,2-benzothiazole-7-carboxylic acid |
Description: | 1,2-benzothiazole-7-carboxylic acid (CAS# 1260382-80-6 ) is a useful research chemical. |
Molecular Weight: | 179.193 |
Molecular Formula: | C8H5NO2S |
Canonical SMILES: | C1=CC2=C(C(=C1)C(=O)O)SN=C2 |
InChI: | InChI=1S/C8H5NO2S/c10-8(11)6-3-1-2-5-4-9-12-7(5)6/h1-4H,(H,10,11) |
InChI Key: | VVUDWXMKSIIWHQ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.99450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.00409958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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