| CAS Number | 1214335-25-7 |
| Catalog Number | AG0014U2(AGN-PC-0WD1BW) |
| Chemical Name | 4-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, ethyl ester |
| IUPAC Name | ethyl 3-bromo-5-fluoropyridine-4-carboxylate |
| InChI | InChI=1S/C8H7BrFNO2/c1-2-13-8(12)7-5(9)3-11-4-6(7)10/h3-4H,2H2,1H3 |
| InChI Key | KDHLLUHMPGJYDM-UHFFFAOYSA-N |
| MDL Number | MFCD14698327 |
| Molecular Formula | C8H7BrFNO2 |
| Molecular Weight | 248.0491 |
| SMILES | CCOC(=O)c1c(F)cncc1Br |
| Synonyms | Ethyl 3-bromo-5-fluoroisonicotinate,
1214335-25-7,
ethyl 3-bromo-5-fluoropyridine-4-carboxylate,
SCHEMBL844633,
DTXSID80673291,
KDHLLUHMPGJYDM-UHFFFAOYSA-N,
3839AA,
MFCD14698327,
ZINC47203040,
AJ-110713,
CS-0036867,
3-bromo-5-fluoro-isonicotinic acid ethyl ester,
4-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, ethyl ester,
C8H7BrFNO2,
Ethyl3-bromo-5-fluoroisonicotinate,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.051g/mol |
| Monoisotopic Mass | 246.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number