3-Fluoro-2-methoxy-benzenesulfonyl Chloride - CAS 1049729-85-2
Catalog: |
BB065176 |
Product Name: |
3-Fluoro-2-methoxy-benzenesulfonyl Chloride |
CAS: |
1049729-85-2 |
Synonyms: |
3-fluoro-2-methoxybenzenesulfonyl chloride; 3-Fluoro-2-methoxybenzene-1-sulfonyl chloride; 3-fluoro-2-methoxy-benzenesulfonyl chloride; 3-Fluoro-2-methoxybenzenesulphonyl chloride |
IUPAC Name: | 3-fluoro-2-methoxybenzenesulfonyl chloride |
Molecular Weight: | 224.64 |
Molecular Formula: | C7H6ClFO3S |
Canonical SMILES: | COC1=C(C=CC=C1S(=O)(=O)Cl)F |
InChI: | InChI=1S/C7H6ClFO3S/c1-12-7-5(9)3-2-4-6(7)13(8,10)11/h2-4H,1H3 |
InChI Key: | HNWSEIOPNICFIJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9710211 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9710211 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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