| CAS Number | 1262010-01-4 |
| Catalog Number | AG00HRB5 |
| Chemical Name | 3-[4-(N,N-Dimethylaminocarbonyl)phenyl]-4-fluorobenzoic acid |
| IUPAC Name | 3-[4-(dimethylcarbamoyl)phenyl]-4-fluorobenzoic acid |
| 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 |
| MDL Number | MFCD18321976 |
| Molecular Formula | C16H14FNO3 |
| Molecular Weight | 287.2857 |
| SMILES | CN(C(=O)c1ccc(cc1)c1cc(ccc1F)C(=O)O)C |
| Synonyms | 1262010-01-4,
3-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]-4-FLUOROBENZOIC ACID,
DTXSID80691339,
MFCD18321976,
ZINC65354395,
AKOS026672675,
4'-(Dimethylcarbamoyl)-6-fluoro[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.29g/mol |
| Monoisotopic Mass | 287.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number