| CAS Number | 173600-03-8 |
| Catalog Number | AG00ARY3(AGN-PC-0N6NIU) |
| Chemical Name | methyl 1-benzyl-1H-indazole-3-carboxylate |
| IUPAC Name | methyl 1-benzylindazole-3-carboxylate |
| InChI | InChI=1S/C16H14N2O2/c1-20-16(19)15-13-9-5-6-10-14(13)18(17-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| InChI Key | MDYQTFQMUAVGRX-UHFFFAOYSA-N |
| MDL Number | MFCD27964904 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.2946 |
| SMILES | C(C1=CC=CC=C1)N1N=C(C2=CC=CC=C12)C(=O)OC |
| Synonyms | 173600-03-8,
1H-Indazole-3-carboxylic acid, 1-(phenylmethyl)-, methyl ester,
methyl 1-benzyl-1H-indazole-3-carboxylate,
SCHEMBL1897336,
MDYQTFQMUAVGRX-UHFFFAOYSA-N,
methyl 1 benzyl-indazole-3-carboxylate,
CS-0062105,
1-Benzylindazole-3carboxylic acid methyl ester,
1-Benzylindazole-3-carboxylic Acid Methyl Ester,
Methyl 1-benzylindazole-3-carboxylate,
CID10563690,
methyl 1-phenylmethyl-1H-indazole-3-carboxylate,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.3g/mol |
| Monoisotopic Mass | 266.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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