| CAS Number | 1344046-12-3 |
| Catalog Number | AG009DF4(AGN-PC-0WAHNM) |
| Chemical Name | 3-bromoquinoline-5-carboxylic acid |
| IUPAC Name | 3-bromoquinoline-5-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO2/c11-6-4-8-7(10(13)14)2-1-3-9(8)12-5-6/h1-5H,(H,13,14) |
| InChI Key | AHSLKFZOVNDIDM-UHFFFAOYSA-N |
| MDL Number | MFCD20327981 |
| Molecular Formula | C10H6BrNO2 |
| Molecular Weight | 252.0641 |
| SMILES | O=C(C1=C2C=C(Br)C=NC2=CC=C1)O |
| Synonyms | 3-bromoquinoline-5-carboxylic acid,
1344046-12-3,
SCHEMBL17798756,
DTXSID80858602,
AHSLKFZOVNDIDM-UHFFFAOYSA-N,
MFCD20327981,
ZINC95616303,
FCH1602651,
QC-8348,
AK164719,
AS-32797,
SC-93484,
AB0091741,
C-0156,
3-bromoquinoline-5-carboxylic acid, 95% - 1G 1g,
|
| 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
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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