3-[4-(N,N-Dimethylaminocarbonyl)phenyl]-4-fluorobenzoic acid - CAS 1262010-01-4
Catalog: |
BB066845 |
Product Name: |
3-[4-(N,N-Dimethylaminocarbonyl)phenyl]-4-fluorobenzoic acid |
CAS: |
1262010-01-4 |
Synonyms: |
3-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]-4-FLUOROBENZOIC ACID; 3-[4-(dimethylcarbamoyl)phenyl]-4-fluorobenzoic acid; 3-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]-4-FLUOROBENZOICACID |
IUPAC Name: | 3-[4-(dimethylcarbamoyl)phenyl]-4-fluorobenzoic acid |
Description: | 3-[4-(N,N-Dimethylaminocarbonyl)phenyl]-4-fluorobenzoic acid |
Molecular Weight: | 287.29 |
Molecular Formula: | C16H14FNO3 |
Canonical SMILES: | CN(C)C(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)O)F |
InChI: | InChI=1S/C16H14FNO3/c1-18(2)15(19)11-5-3-10(4-6-11)13-9-12(16(20)21)7-8-14(13)17/h3-9H,1-2H3,(H,20,21) |
InChI Key: | HYOYAUNKHNTOHN-UHFFFAOYSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.09577147 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.09577147 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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