1H-Benzotriazole-6-sulfonyl Chloride - CAS 70938-45-3
Catalog: |
BB073876 |
Product Name: |
1H-Benzotriazole-6-sulfonyl Chloride |
CAS: |
70938-45-3 |
Synonyms: |
1H-Benzotriazole-6-sulfonyl Chloride; 2H-benzotriazole-5-sulfonyl chloride; 1H-1,2,3-benzotriazole-5-sulfonyl chloride; 1H-Benzo[d][1,2,3]triazole-6-sulfonyl chloride; 1H-Benzotriazole-5-sulfonyl chloride |
IUPAC Name: | 2H-benzotriazole-5-sulfonyl chloride |
Molecular Weight: | 217.63 |
Molecular Formula: | C6H4ClN3O2S |
Canonical SMILES: | C1=CC2=NNN=C2C=C1S(=O)(=O)Cl |
InChI: | InChI=1S/C6H4ClN3O2S/c7-13(11,12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10) |
InChI Key: | PSPCOCCEHDQASL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.9712752 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.9712752 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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