3-Acetamido-5-(trifluoromethyl)benzoic Acid - CAS 500590-51-2
Catalog: |
BB073280 |
Product Name: |
3-Acetamido-5-(trifluoromethyl)benzoic Acid |
CAS: |
500590-51-2 |
Synonyms: |
3-acetamido-5-(trifluoromethyl)benzoic acid; 3-acetamido-5-(trifluoromethyl)benzoicacid; 3-acetylamino-5-(trifluoromethyl)-benzoic acid |
IUPAC Name: | 3-acetamido-5-(trifluoromethyl)benzoic acid |
Molecular Weight: | 247.17 |
Molecular Formula: | C10H8NO3F3 |
Canonical SMILES: | CC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C10H8F3NO3/c1-5(15)14-8-3-6(9(16)17)2-7(4-8)10(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17) |
InChI Key: | UEGUKMUUDSGPDJ-UHFFFAOYSA-N |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0456276 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0456276 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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