| CAS Number | 1372629-24-7 |
| Catalog Number | AG001311(AGN-PC-0WNGU9) |
| Chemical Name | 1H-Indazole-5-carboxylic acid, 6-chloro-, methyl ester |
| IUPAC Name | methyl 6-chloro-1H-indazole-5-carboxylate |
| InChI | InChI=1S/C9H7ClN2O2/c1-14-9(13)6-2-5-4-11-12-8(5)3-7(6)10/h2-4H,1H3,(H,11,12) |
| InChI Key | XLLKGZWPVGZUAY-UHFFFAOYSA-N |
| MDL Number | MFCD23705462 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | O=C(C1=CC2=C(NN=C2)C=C1Cl)OC |
| Synonyms | 1372629-24-7,
6-Chloro-1H-indazole-5-carboxylic acid methyl ester,
methyl 6-chloro-1H-indazole-5-carboxylate,
1H-Indazole-5-carboxylic acid, 6-chloro-, methyl ester,
SCHEMBL16213538,
XLLKGZWPVGZUAY-UHFFFAOYSA-N,
MFCD23705462,
ZINC203352740,
SB16235,
AS-53161,
CS-0050237,
KS-00000622,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number