| CAS Number | 1049605-94-8 |
| Catalog Number | AG019MB7 |
| Chemical Name | methyl 1-(4-aminophenyl)-1H-1,2,3-triazole-4-carboxylate |
| IUPAC Name | methyl 1-(4-aminophenyl)triazole-4-carboxylate |
| InChI | InChI=1S/C10H10N4O2/c1-16-10(15)9-6-14(13-12-9)8-4-2-7(11)3-5-8/h2-6H,11H2,1H3 |
| InChI Key | KRTYKWWVPCSZFP-UHFFFAOYSA-N |
| MDL Number | MFCD10686730 |
| Molecular Formula | C10H10N4O2 |
| Molecular Weight | 218.2120 |
| SMILES | COC(C1N=NN(C2=CC=C(N)C=C2)C=1)=O |
| Synonyms | methyl 1-(4-aminophenyl)-1H-1,2,3-triazole-4-carboxylate,
1049605-94-8,
AC1Q43OY,
CTK6J1343,
ZINC20282846,
AKOS008118296,
MCULE-9806644511,
EN300-35652,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.216g/mol |
| Monoisotopic Mass | 218.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number