| CAS Number | 25462-84-4 |
| Catalog Number | AG00BFCJ(AGN-PC-0WOHNR) |
| Chemical Name | 2-BroMo-6-Methylpyridin-4-carboxylic acid |
| IUPAC Name | 2-bromo-6-methylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3H,1H3,(H,10,11) |
| InChI Key | QGZZJQDQHFJUHC-UHFFFAOYSA-N |
| MDL Number | MFCD13188656 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | BrC1=NC(=CC(=C1)C(=O)O)C |
| Synonyms | 2-BROMO-6-METHYLISONICOTINIC ACID,
25462-84-4,
SCHEMBL2564827,
QGZZJQDQHFJUHC-UHFFFAOYSA-N,
MFCD13188656,
ZINC88190215,
AKOS017559918,
AB66859,
AS-43429,
2-BroMo-6-Methylpyridin-4-carboxylic acid,
4-Pyridinecarboxylic acid, 2-bromo-6-methyl-,
2-BROMO-6-METHYLPYRIDINE-4-CARBOXYLIC ACID,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number