5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoic acid - CAS 1345472-27-6
Catalog: |
BB070539 |
Product Name: |
5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoic acid |
CAS: |
1345472-27-6 |
Synonyms: |
5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoic acid; 5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoicacid; 4'-(Carboxymethyl)-4-fluoro[1,1'-biphenyl]-3-carboxylic acid |
IUPAC Name: | 5-[4-(carboxymethyl)phenyl]-2-fluorobenzoic acid |
Description: | 5-[4-(Carboxymethyl)phenyl]-2-fluorobenzoic acid |
Molecular Weight: | 274.24 |
Molecular Formula: | C15H11FO4 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)C2=CC(=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C15H11FO4/c16-13-6-5-11(8-12(13)15(19)20)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)(H,19,20) |
InChI Key: | VGYUEFJQGUTBNZ-UHFFFAOYSA-N |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.06413699 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.06413699 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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