| CAS Number | 1337879-62-5 |
| Catalog Number | AG009YF1(AGN-PC-0WNR2B) |
| Chemical Name | 7-Bromo-4-methoxy-1H-indazole |
| IUPAC Name | 7-bromo-4-methoxy-1H-indazole |
| InChI | InChI=1S/C8H7BrN2O/c1-12-7-3-2-6(9)8-5(7)4-10-11-8/h2-4H,1H3,(H,10,11) |
| InChI Key | ASEVEOJGLPLZRP-UHFFFAOYSA-N |
| MDL Number | MFCD22380217 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | COc1ccc(c2c1cn[nH]2)Br |
| Synonyms | 7-Bromo-4-methoxy-1H-indazole,
7-Bromo-4-methoxyindazole,
1337879-62-5,
SCHEMBL18512236,
1h-indazole,7-bromo-4-methoxy-,
MFCD22380217,
ZINC84235838,
AC-29621,
CS-12140,
SY038408,
MFCD22380217 (95%),
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.061g/mol |
| Monoisotopic Mass | 225.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number