2-Fluoro-5-nitrobenzenesulfonyl chloride - CAS 713-21-3
Catalog: |
BB063488 |
Product Name: |
2-Fluoro-5-nitrobenzenesulfonyl chloride |
CAS: |
713-21-3 |
Synonyms: |
2-fluoro-5-nitrobenzenesulfonyl chloride; 2-fluoro-5-nitrobenzene-1-sulfonyl chloride; 2-Fluoro-5-nitrobenzenesulfonylchloride; 2-fluoro-5-nitro-benzenesulfonyl chloride; Benzenesulfonyl chloride, 2-fluoro-5-nitro- |
IUPAC Name: | 2-fluoro-5-nitrobenzenesulfonyl chloride |
Molecular Weight: | 239.61 |
Molecular Formula: | C6H3ClFNO4S |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)Cl)F |
InChI: | InChI=1S/C6H3ClFNO4S/c7-14(12,13)6-3-4(9(10)11)1-2-5(6)8/h1-3H |
InChI Key: | VQHGELUKJYOETQ-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: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.9455346 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.9455346 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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