| CAS Number | 1258649-91-0 |
| Catalog Number | AG01AATL |
| Chemical Name | 3-Fluoro-4-(1H-pyrrol-1-yl)benzoic acid |
| IUPAC Name | 3-fluoro-4-pyrrol-1-ylbenzoic acid |
| InChI | InChI=1S/C11H8FNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h1-7H,(H,14,15) |
| InChI Key | ATFCCZZCELDWDM-UHFFFAOYSA-N |
| MDL Number | MFCD17480428 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | O=C(O)C1=CC=C(N2C=CC=C2)C(F)=C1 |
| Synonyms | 3-fluoro-4-(1H-pyrrol-1-yl)benzoic acid,
1258649-91-0,
AC1Q730O,
ZINC57218676,
AKOS012492321,
MCULE-7010542798,
NE38454,
EN300-69531,
Z1259273131,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.188g/mol |
| Monoisotopic Mass | 205.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number