| CAS Number | 132287-02-6 |
| Catalog Number | AG00HSMV(AGN-PC-0KYU2J) |
| Chemical Name | Methyl 3-(2H-benzo[d][1,2,3]triazol-2-yl)propanoate |
| IUPAC Name | methyl 3-(benzotriazol-2-yl)propanoate |
| InChI | InChI=1S/C10H11N3O2/c1-15-10(14)6-7-13-11-8-4-2-3-5-9(8)12-13/h2-5H,6-7H2,1H3 |
| InChI Key | GMEMDZBXJYZNRG-UHFFFAOYSA-N |
| MDL Number | MFCD00966625 |
| Molecular Formula | C10H11N3O2 |
| Molecular Weight | 205.2132 |
| SMILES | COC(=O)CCn1nc2c(n1)cccc2 |
| Synonyms | Methyl 3-(2H-benzo[d][1,2,3]triazol-2-yl)propanoate,
132287-02-6,
AC1MV1NB,
ZINC5354350,
MFCD00966625,
methyl 3-(benzotriazol-2-yl)propanoate,
Methyl 3-benzotriazol-2-ylpropanoate,
CID3700793,
3-benzotriazol-2-yl-propionic acid methyl ester,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.217g/mol |
| Monoisotopic Mass | 205.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number