| CAS Number | 1805579-11-6 |
| Catalog Number | AG00223G(AGN-PC-0WANEL) |
| Chemical Name | 6-Bromo-5-(trifluoromethyl)nicotinic acid |
| IUPAC Name | 6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H3BrF3NO2/c8-5-4(7(9,10)11)1-3(2-12-5)6(13)14/h1-2H,(H,13,14) |
| InChI Key | ROFHPSYCGBNEEP-UHFFFAOYSA-N |
| MDL Number | MFCD22372613 |
| Molecular Formula | C7H3BrF3NO2 |
| Molecular Weight | 270.0034 |
| SMILES | OC(=O)C1=CN=C(Br)C(=C1)C(F)(F)F |
| Synonyms | 6-bromo-5-(trifluoromethyl)nicotinic acid,
1805579-11-6,
MFCD22372613,
AK158983,
WT2020,
ZINC79058211,
AKOS024262680,
CS-W007010,
DS-9618,
FCH1615250,
DA-00024,
QC-10303,
AJ-123047,
ST2406420,
6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 6-bromo-5-(trifluoromethyl)-,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.005g/mol |
| Monoisotopic Mass | 268.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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