| CAS Number | 1296950-96-3 |
| Catalog Number | AG000TLA(AGN-PC-0WAN45) |
| Chemical Name | 6-Bromoquinoline-3-carboxamide |
| IUPAC Name | 6-bromoquinoline-3-carboxamide |
| InChI | InChI=1S/C10H7BrN2O/c11-8-1-2-9-6(4-8)3-7(5-13-9)10(12)14/h1-5H,(H2,12,14) |
| InChI Key | DKTGQKFNZHZSQH-UHFFFAOYSA-N |
| MDL Number | MFCD18909572 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | NC(=O)C1=CC2=CC(Br)=CC=C2N=C1 |
| Synonyms | 6-Bromoquinoline-3-carboxamide,
1296950-96-3,
AK138121,
SCHEMBL15775057,
KS-00000RQV,
DTXSID20856849,
3-Quinolinecarboxamide, 6-bromo-,
MFCD18909572,
ZINC62864129,
AKOS022173612,
DS-5957,
FCH1347823,
AJ-114271,
AX8259670,
ST24045234,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.083g/mol |
| Monoisotopic Mass | 249.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number