| CAS Number | 928658-23-5 |
| Catalog Number | AG00GSOI(AGN-PC-0WCREI) |
| Chemical Name | 4-(6-bromo-pyridin-2-yl)-benzoic acid |
| IUPAC Name | 4-(6-bromopyridin-2-yl)benzoic acid |
| InChI | InChI=1S/C12H8BrNO2/c13-11-3-1-2-10(14-11)8-4-6-9(7-5-8)12(15)16/h1-7H,(H,15,16) |
| InChI Key | LJVFAKRRQNUNES-UHFFFAOYSA-N |
| MDL Number | MFCD09753803 |
| Molecular Formula | C12H8BrNO2 |
| Molecular Weight | 278.1014 |
| SMILES | O=C(O)C1=CC=C(C2=NC(Br)=CC=C2)C=C1 |
| Synonyms | 928658-23-5,
4-(6-bromopyridin-2-yl)benzoic acid,
4-(6-Bromo-pyridin-2-yl)-benzoic acid,
4-(6-Bromo-pyridin-2-yl)benzoic acid,
CTK5H1801,
DTXSID50582927,
MFCD09753803,
ZINC16696612,
CB-1774,
4-(6-Bromo-pyridin-2-yl)-benzoicacid,
AJ-69126,
AK-26447,
AS-30425,
Benzoic acid, 4-(6-bromo-2-pyridinyl)-,
AX8035446,
DB-079425,
FT-0703903,
A-2148,
4-(6-BROMO-(PYRIDIN-2-YL))-BENZOIC ACID,
4- -benzoicacid,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.105g/mol |
| Monoisotopic Mass | 276.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number