| CAS Number | 791632-21-8 |
| Catalog Number | AG00GA2X |
| Chemical Name | 8-BROMO-6-QUINOLINECARBOXYLIC ACID |
| IUPAC Name | 8-bromoquinoline-6-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO2/c11-8-5-7(10(13)14)4-6-2-1-3-12-9(6)8/h1-5H,(H,13,14) |
| InChI Key | RDUAIBVSZBTFKK-UHFFFAOYSA-N |
| MDL Number | MFCD09754138 |
| Molecular Formula | C10H6BrNO2 |
| Molecular Weight | 252.0641 |
| SMILES | O=C(O)C1=CC(Br)=C2N=CC=CC2=C1 |
| Synonyms | 8-bromoquinoline-6-carboxylic Acid,
791632-21-8,
SCHEMBL4204593,
RDUAIBVSZBTFKK-UHFFFAOYSA-N,
MFCD09754138,
ZINC26441208,
AKOS023553396,
AS-53681,
8-bromo-6-Quinolinecarboxylic acid,
CID10658433,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.067g/mol |
| Monoisotopic Mass | 250.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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-H312-H332
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|
Packing Group
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\N
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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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\N
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Certificate of Analysis
Lot Number