2-Fluoro-4-nitrobenzene-1-sulfonyl chloride - CAS 1146290-36-9
Catalog: |
BB063489 |
Product Name: |
2-Fluoro-4-nitrobenzene-1-sulfonyl chloride |
CAS: |
1146290-36-9 |
Synonyms: |
2-fluoro-4-nitrobenzene-1-sulfonyl chloride; 2-fluoro-4-nitrobenzenesulfonyl chloride |
IUPAC Name: | 2-fluoro-4-nitrobenzenesulfonyl chloride |
Description: | 2-Fluoro-4-nitrobenzene-1-sulfonyl chloride |
Molecular Weight: | 239.61 |
Molecular Formula: | C6H3ClFNO4S |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])F)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H3ClFNO4S/c7-14(12,13)6-2-1-4(9(10)11)3-5(6)8/h1-3H |
InChI Key: | FNCNMVPZFVXQTL-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, 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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