| CAS Number | 1630906-74-9 |
| Catalog Number | AG001TPU(AGN-PC-0WBSJJ) |
| Chemical Name | 2H-Indazole-3-carboxylic acid, 5-bromo-2-methyl-, methyl ester |
| IUPAC Name | methyl 5-bromo-2-methylindazole-3-carboxylate |
| InChI | InChI=1S/C10H9BrN2O2/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12-13/h3-5H,1-2H3 |
| InChI Key | PXDUHXBFBLGWMP-UHFFFAOYSA-N |
| MDL Number | MFCD28166280 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | O=C(C1=C2C=C(Br)C=CC2=NN1C)OC |
| Synonyms | methyl 5-bromo-2-methyl-2H-indazole-3-carboxylate,
1630906-74-9,
SCHEMBL18526214,
MFCD28166280,
AKOS025289802,
ZINC169806013,
SB17667,
AK171383,
AS-52199,
CS-0048998,
KS-00000663,
methyl 5-bromo-2-methylindazole-3-carboxylate,
Methyl 5-bromo-2-methyl-indazole-3-carboxylate,
2H-Indazole-3-carboxylic acid, 5-bromo-2-methyl-, methyl ester,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number