| CAS Number | 1256834-13-5 |
| Catalog Number | AG000OGJ(AGN-PC-0WD70I) |
| Chemical Name | 3-Pyridinecarboxylic acid, 4-bromo-6-chloro- |
| IUPAC Name | 4-bromo-6-chloropyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H3BrClNO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11) |
| InChI Key | FMQKQSCHFALFKI-UHFFFAOYSA-N |
| MDL Number | MFCD18257866 |
| Molecular Formula | C6H3BrClNO2 |
| Molecular Weight | 236.4505 |
| SMILES | BrC1=CC(=NC=C1C(=O)O)Cl |
| Synonyms | 4-Bromo-6-chloronicotinic acid,
1256834-13-5,
6-chloro-4-bromonicotinic acid,
SCHEMBL15689055,
FMQKQSCHFALFKI-UHFFFAOYSA-N,
MFCD18257866,
ZINC149707979,
DS-9537,
AK167576,
CS-0060141,
3-Pyridinecarboxylic acid, 4-bromo-6-chloro-,
4-BROMO-6-CHLOROPYRIDINE-3-CARBOXYLIC ACID,
J-514776,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.449g/mol |
| Monoisotopic Mass | 234.904g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
|
Packing Group
|
\N
|
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Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
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\N
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Certificate of Analysis
Lot Number