| CAS Number | 1060804-74-1 |
| Catalog Number | AG0094S6(AGN-PC-0WAIVT) |
| Chemical Name | 6-BroMo-4-Methyl-nicotinic acid |
| IUPAC Name | 6-bromo-4-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | MOCUEPIHCCYSMT-UHFFFAOYSA-N |
| MDL Number | MFCD13189138 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | BrC1=NC=C(C(=O)O)C(=C1)C |
| Synonyms | 6-BROMO-4-METHYLNICOTINIC ACID,
1060804-74-1,
6-BROMO-4-METHYLPYRIDINE-3-CARBOXYLIC ACID,
SCHEMBL14687807,
6-BroMo-4-Methyl-nicotinic acid,
MOCUEPIHCCYSMT-UHFFFAOYSA-N,
MFCD13189138,
ZINC72222947,
AKOS024015821,
AB67818,
FT-0703279,
3-Pyridinecarboxylic acid, 6-bromo-4-methyl-,
Z-2648,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.034g/mol |
| Monoisotopic Mass | 214.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number