2-Cyano-5-methoxybenzene-1-sulfonyl chloride - CAS 1261573-04-9
Catalog: |
BB069124 |
Product Name: |
2-Cyano-5-methoxybenzene-1-sulfonyl chloride |
CAS: |
1261573-04-9 |
Synonyms: |
2-Cyano-5-methoxybenzene-1-sulfonyl chloride; 2-cyano-5-methoxybenzenesulfonyl chloride; 2-CYANO-5-METHOXYPHENYLSULFONYL CHLORIDE; Benzenesulfonyl chloride, 2-cyano-5-methoxy- |
IUPAC Name: | 2-cyano-5-methoxybenzenesulfonyl chloride |
Description: | 2-Cyano-5-methoxybenzene-1-sulfonyl chloride |
Molecular Weight: | 231.66 |
Molecular Formula: | C8H6ClNO3S |
Canonical SMILES: | COC1=CC(=C(C=C1)C#N)S(=O)(=O)Cl |
InChI: | InChI=1S/C8H6ClNO3S/c1-13-7-3-2-6(5-10)8(4-7)14(9,11)12/h2-4H,1H3 |
InChI Key: | CFOVDTUMIVSQGA-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.9756919 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.9756919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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