| CAS Number | 1196146-81-2 |
| Catalog Number | AG008W66(AGN-PC-0WCR48) |
| Chemical Name | 1-bromo-6-chloro-isoquinoline |
| IUPAC Name | 1-bromo-6-chloroisoquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-8-2-1-7(11)5-6(8)3-4-12-9/h1-5H |
| InChI Key | DFEZCGBCINZVHQ-UHFFFAOYSA-N |
| MDL Number | MFCD13190244 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | Clc1ccc2c(c1)ccnc2Br |
| Synonyms | 1-Bromo-6-chloroisoquinoline,
1196146-81-2,
1-BROMO-6-CHLORO-ISOQUINOLINE,
SCHEMBL18281243,
DTXSID30745412,
ZX-AT001706,
MFCD13190244,
ZINC71482509,
AB70045,
FCH1381437,
QC-3399,
DA-19257,
OR300111,
PS-11590,
AB0037891,
CS-0044896,
FT-0733535,
Y5224,
C-0495,
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