3-Acetyl-4-fluorobenzoic acid - CAS 1505662-44-1
Catalog: |
BB061206 |
Product Name: |
3-Acetyl-4-fluorobenzoic acid |
CAS: |
1505662-44-1 |
Synonyms: |
3-acetyl-4-fluorobenzoic acid; 3-acetyl-4-fluorobenzoicacid |
IUPAC Name: | 3-acetyl-4-fluorobenzoic acid |
Description: | 3-Acetyl-4-fluorobenzoic acid |
Molecular Weight: | 182.15 |
Molecular Formula: | C9H7FO3 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)C(=O)O)F |
InChI: | InChI=1S/C9H7FO3/c1-5(11)7-4-6(9(12)13)2-3-8(7)10/h2-4H,1H3,(H,12,13) |
InChI Key: | RDQMOHIQAIRPQX-UHFFFAOYSA-N |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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