| CAS Number | 952680-24-9 |
| Catalog Number | AG003LCU(AGN-PC-0WAFRY) |
| Chemical Name | 4-Fluoro-2-(1-pyrrolidinyl)benzoic Acid |
| IUPAC Name | 4-fluoro-2-pyrrolidin-1-ylbenzoic acid |
| InChI | InChI=1S/C11H12FNO2/c12-8-3-4-9(11(14)15)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15) |
| InChI Key | ZSCRFDMYNVSJCR-UHFFFAOYSA-N |
| MDL Number | MFCD23743559 |
| Molecular Formula | C11H12FNO2 |
| Molecular Weight | 209.2169 |
| SMILES | O=C(O)C1=CC=C(F)C=C1N2CCCC2 |
| Synonyms | 4-Fluoro-2-(1-pyrrolidinyl)benzoic Acid,
952680-24-9,
KS-00000CYL,
4-Fluoro-2-pyrrolizinobenzoic acid,
MFCD23743559,
ZINC86658641,
AKOS018236986,
TRA0000048,
4-Fluoro-2-(1-pyrrolidinyl)benzoicAcid,
CS-11806,
SY030764,
4-fluoro-2-(pyrrolidin-1-yl)benzoic acid,
FT-0763618,
MFCD23743559 (95+%),
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.22g/mol |
| Monoisotopic Mass | 209.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number