| CAS Number | 1072946-05-4 |
| Catalog Number | AG003IZ5(AGN-PC-0WA84L) |
| Chemical Name | 3-Boronoisonicotinic Acid |
| IUPAC Name | 3-boronopyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H6BNO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3,11-12H,(H,9,10) |
| InChI Key | NHHWTGRSSOPFSI-UHFFFAOYSA-N |
| MDL Number | MFCD10696649 |
| Molecular Formula | C6H6BNO4 |
| Molecular Weight | 166.9271 |
| SMILES | OB(O)c1cnccc1C(O)=O |
| Synonyms | 3-Boronoisonicotinic acid,
1072946-05-4,
3-(DIHYDROXYBORANYL)PYRIDINE-4-CARBOXYLIC ACID,
ACMC-2098r9,
CTK4A5226,
DTXSID90674451,
3-boronopyridine-4-carboxylic acid,
ANW-15619,
AKOS006304581,
ZINC169903895,
AB57836,
RTR-001551,
4-CARBOXYPYRIDINE-3-BORONIC ACID,
TR-001551,
Z7029,
A-4540,
I02-3088,
C6H6BNO4,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.927g/mol |
| Monoisotopic Mass | 167.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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UN Code
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Certificate of Analysis
Lot Number