| CAS Number | 174903-38-9 |
| Catalog Number | AG00AV6I(AGN-PC-0JOUA1) |
| Chemical Name | METHYL 2-(1H-BENZO[D][1,2,3]TRIAZOL-1-YL)ACETATE |
| IUPAC Name | methyl 2-(benzotriazol-1-yl)acetate |
| InChI | InChI=1S/C9H9N3O2/c1-14-9(13)6-12-8-5-3-2-4-7(8)10-11-12/h2-5H,6H2,1H3 |
| InChI Key | JHUAMEKJJNCMLD-UHFFFAOYSA-N |
| MDL Number | MFCD01924508 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| NSC Number | 227392 |
| SMILES | COC(=O)Cn1nnc2c1cccc2 |
| Synonyms | 174903-38-9,
Methyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate,
BENZOTRIAZOL-1-YL-ACETIC ACID METHYL ESTER,
NSC227392,
AC1L7NGJ,
CTK6J2591,
ZINC1757764,
methyl 2-(benzotriazol-1-yl)acetate,
MFCD01924508,
AKOS003216668,
NSC-227392,
methyl 2-(1H-1,2,3-benzotriazol-1-yl)acetate,
C9H9N3O2,
CID313449,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number