| CAS Number | 898559-24-5 |
| Catalog Number | AG003X2Y(AGN-PC-0BSCLN) |
| Chemical Name | 3-Bromoquinoline-2-carbaldehyde |
| IUPAC Name | 3-bromoquinoline-2-carbaldehyde |
| InChI | InChI=1S/C10H6BrNO/c11-8-5-7-3-1-2-4-9(7)12-10(8)6-13/h1-6H |
| InChI Key | PJFNHALOBWCFMD-UHFFFAOYSA-N |
| MDL Number | MFCD08669940 |
| Molecular Formula | C10H6BrNO |
| Molecular Weight | 236.0647 |
| SMILES | c1ccc2c(c1)cc(c(n2)C=O)Br |
| Synonyms | 3-bromoquinoline-2-carbaldehyde,
898559-24-5,
SCHEMBL2015910,
CTK5G3619,
3-Bromo-quinoline-2-carbaldehyde,
DTXSID00723222,
PJFNHALOBWCFMD-UHFFFAOYSA-N,
2-Quinolinecarboxaldehyde, 3-bromo-,
MFCD08669940,
ZINC71864032,
AKOS015994832,
AB46109,
RP28210,
CJ-21623,
AJ-118851,
ST24041985,
Z1045,
Q-7058,
J-512140,
C10H6BrNO,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.068g/mol |
| Monoisotopic Mass | 234.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number