| CAS Number | 1021859-33-5 |
| Catalog Number | AG008XBU(AGN-PC-0711TX) |
| Chemical Name | 6-Bromo-2-methyl-2H-indazole-3-carboxylic acid |
| IUPAC Name | 6-bromo-2-methylindazole-3-carboxylic acid |
| InChI | InChI=1S/C9H7BrN2O2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11-12/h2-4H,1H3,(H,13,14) |
| InChI Key | QNIIYXJKTORVOF-UHFFFAOYSA-N |
| MDL Number | MFCD11655613 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | Cn1c(c2ccc(cc2n1)Br)C(=O)O |
| Synonyms | 6-BROMO-2-METHYL-2H-INDAZOLE-3-CARBOXYLIC ACID,
1021859-33-5,
SCHEMBL4730929,
DTXSID10656759,
ZINC34936124,
AKOS015957428,
MCULE-4577361453,
AN-26005,
6-bromo-2-methylindazole-3-carboxylic acid,
6-bromo-2-methyl-indazole-3-carboxylic acid,
L-4202,
S14-2673,
F2167-0067,
Z1269240496,
886230-77-9,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number