| CAS Number | 1374652-62-6 |
| Catalog Number | AG003ARG(AGN-PC-0WOFRK) |
| Chemical Name | 5-bromo-7-methoxy-1H-indazole |
| IUPAC Name | 5-bromo-7-methoxy-1H-indazole |
| InChI | InChI=1S/C8H7BrN2O/c1-12-7-3-6(9)2-5-4-10-11-8(5)7/h2-4H,1H3,(H,10,11) |
| InChI Key | GLOTVIAEDAXCAT-UHFFFAOYSA-N |
| MDL Number | MFCD11878570 |
| Molecular Formula | C8H7BrN2O |
| Molecular Weight | 227.0580 |
| SMILES | BrC=1C=C2C=NNC2=C(C1)OC |
| Synonyms | 5-Bromo-7-methoxy-1H-indazole,
1374652-62-6,
1H-Indazole, 5-bromo-7-methoxy-,
SCHEMBL14995475,
MFCD11878570,
ZINC84235797,
AKOS023399858,
SB15968,
AS-40993,
CS-0054467,
FT-0756942,
5-bromo-7-methoxy-1H-indazole, 95% - 1G 1g,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H320-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
|
|
Signal Words
|
warning
|
|
UN Code
|
|
Certificate of Analysis
Lot Number