| CAS Number | 1214337-00-4 |
| Catalog Number | AG0014TS(AGN-PC-0WD15B) |
| Chemical Name | 2-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, methyl ester |
| IUPAC Name | methyl 3-bromo-5-fluoropyridine-2-carboxylate |
| InChI | InChI=1S/C7H5BrFNO2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,1H3 |
| InChI Key | BXVIPHUMAZBNSW-UHFFFAOYSA-N |
| MDL Number | MFCD14698117 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | O=C(OC)C1=NC=C(F)C=C1Br |
| Synonyms | 1214337-00-4,
Methyl 3-bromo-5-fluoropicolinate,
methyl 3-bromo-5-fluoropyridine-2-carboxylate,
SCHEMBL16632434,
KS-00003QVK,
DTXSID00673238,
BXVIPHUMAZBNSW-UHFFFAOYSA-N,
ZX-AP000485,
MFCD14698117,
ZINC47202530,
AKOS026675558,
FCH1386946,
PC57016,
PS-6729,
3-Bromo-5-fluoro-2-(methoxycarbonyl)pyridine,
C-0203,
2-Pyridinecarboxylic acid, 3-bromo-5-fluoro-, methyl ester,
methyl 3-bromo-5-fluoropyridine-2-carboxylate, 95% - 1G 1g,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number