6-Bromo-2-fluoropyridine-3-carboxylic acid - CAS 1214345-17-1
Catalog: |
BB071619 |
Product Name: |
6-Bromo-2-fluoropyridine-3-carboxylic acid |
CAS: |
1214345-17-1 |
Synonyms: |
6-Bromo-2-fluoronicotinic acid; 6-Bromo-2-fluoropyridine-3-carboxylic acid; 6-BROMO-2-FLUORO-3-PYRIDINECARBOXYLIC ACID; 6-Bromo-2-fluoro-nicotinic acid; 3-Pyridinecarboxylic acid, 6-bromo-2-fluoro-; 6-Bromo-2-fluoronicotinicacid |
IUPAC Name: | 6-bromo-2-fluoropyridine-3-carboxylic acid |
Description: | 6-Bromo-2-fluoropyridine-3-carboxylic acid |
Molecular Weight: | 219.99 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=CC(=NC(=C1C(=O)O)F)Br |
InChI: | InChI=1S/C6H3BrFNO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11) |
InChI Key: | CKSOKCDTRKHTPT-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93312 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93312 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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