| CAS Number | 1359828-80-0 |
| Catalog Number | AG009ETT(AGN-PC-0WCR49) |
| Chemical Name | 1-Bromo-8-chloroisoquinoline |
| IUPAC Name | 1-bromo-8-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-8-6(4-5-12-9)2-1-3-7(8)11/h1-5H |
| InChI Key | IYZAFGYWTPTDIX-UHFFFAOYSA-N |
| MDL Number | MFCD21365109 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | ClC1=CC=CC2=C1C(Br)=NC=C2 |
| Synonyms | 1-Bromo-8-Chloroisoquinoline,
1359828-80-0,
DTXSID50745414,
ZX-AT001623,
MFCD21365109,
ZINC71482539,
FCH1563722,
QC-3401,
OR300113,
PS-11592,
AX8300303,
Y5273,
C-0516,
C9H5BrClN,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.5g/mol |
| Monoisotopic Mass | 240.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number