| CAS Number | 1330750-62-3 |
| Catalog Number | AG009DEG |
| Chemical Name | 5-Bromo-3-methoxyisoquinoline |
| IUPAC Name | 5-bromo-3-methoxyisoquinoline |
| InChI | InChI=1S/C10H8BrNO/c1-13-10-5-8-7(6-12-10)3-2-4-9(8)11/h2-6H,1H3 |
| InChI Key | AQOJBAYGTPZJAY-UHFFFAOYSA-N |
| MDL Number | MFCD19982316 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | BrC1=C2C=C(N=CC2=CC=C1)OC |
| Synonyms | 5-Bromo-3-methoxyisoquinoline,
1330750-62-3,
ZX-AT001744,
MFCD19982316,
ZINC71788848,
AKOS027439200,
FCH1362458,
OR300102,
C-0399,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number