2-[4-Fluorosulfonyl)phenyl]acetic Acid - CAS 402-57-3
Catalog: |
BB065268 |
Product Name: |
2-[4-Fluorosulfonyl)phenyl]acetic Acid |
CAS: |
402-57-3 |
Synonyms: |
2-[4-(fluorosulfonyl)phenyl]acetic acid; 2-(4-fluorosulfonylphenyl)acetic acid; 4-Fluorosulfonylphenylacetic acid |
IUPAC Name: | 2-(4-fluorosulfonylphenyl)acetic acid |
Molecular Weight: | 218.2 |
Molecular Formula: | C8H7O4FS |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)S(=O)(=O)F |
InChI: | InChI=1S/C8H7FO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | VARMWPGASRMINF-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: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.00490804 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.00490804 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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