| CAS Number | 331973-10-5 |
| Catalog Number | AG019MTT |
| Chemical Name | 3-(4-Fluorobenzamido)benzoic acid |
| IUPAC Name | 3-[(4-fluorobenzoyl)amino]benzoic acid |
| InChI | InChI=1S/C14H10FNO3/c15-11-6-4-9(5-7-11)13(17)16-12-3-1-2-10(8-12)14(18)19/h1-8H,(H,16,17)(H,18,19) |
| InChI Key | RQZOSWYDLJDFRS-UHFFFAOYSA-N |
| MDL Number | MFCD00433323 |
| Molecular Formula | C14H10FNO3 |
| Molecular Weight | 259.2325 |
| SMILES | OC(C1=CC(NC(C2=CC=C(F)C=C2)=O)=CC=C1)=O |
| Synonyms | 3-(4-fluorobenzamido)benzoic acid,
3-[(4-fluorobenzoyl)amino]benzoic Acid,
331973-10-5,
AC1MP9BI,
Oprea1_556890,
Oprea1_866082,
AC1Q731M,
SCHEMBL1814173,
CTK7B9813,
ZINC3157915,
SBB004693,
AKOS000105089,
MCULE-5214658506,
NE18193,
3-[(4-fluorophenyl)carbonylamino]benzoic acid,
EN300-37261,
Z85877473,
CID3381602,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.236g/mol |
| Monoisotopic Mass | 259.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number