| CAS Number | 288251-67-2 |
| Catalog Number | AG00I5DM(AGN-PC-0WOHS9) |
| Chemical Name | 1-(4-Fluorophenyl)-1h-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h1-7H,(H,14,15) |
| InChI Key | YHOQBALKYXZCAA-UHFFFAOYSA-N |
| MDL Number | MFCD05174726 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | O=C(C1=CC=CN1C2=CC=C(F)C=C2)O |
| Synonyms | 1-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid,
288251-67-2,
1-(4-fluorophenyl)pyrrole-2-carboxylic acid,
1H-pyrrole-2-carboxylic acid, 1-(4-fluorophenyl)-,
SCHEMBL6052408,
YHOQBALKYXZCAA-UHFFFAOYSA-N,
BBL021831,
KM4782,
MFCD05174726,
STK894548,
ZINC12404847,
AKOS005143617,
MCULE-5801664573,
W2843,
C11H8FNO2,
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| Complexity | 239 |
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number