N-Isopropyl 4-fluorobenzenesulfonamide - CAS 515-47-9
Catalog: |
BB056318 |
Product Name: |
N-Isopropyl 4-fluorobenzenesulfonamide |
CAS: |
515-47-9 |
Synonyms: |
4-fluoro-N-isopropylbenzenesulfonamide; N-ISOPROPYL 4-FLUOROBENZENESULFONAMIDE; 4-fluoro-N-(propan-2-yl)benzene-1-sulfonamide; 4-fluoro-N-propan-2-ylbenzenesulfonamide |
IUPAC Name: | 4-fluoro-N-propan-2-ylbenzenesulfonamide |
Description: | N-Isopropyl 4-fluorobenzenesulfonamide |
Molecular Weight: | 217.26 |
Molecular Formula: | C9H12FNO2S |
Canonical SMILES: | CC(C)NS(=O)(=O)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C9H12FNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3 |
InChI Key: | VCQVCWMGKZCDLZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.05727796 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.05727796 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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