| CAS Number | 304460-09-1 |
| Catalog Number | AG01B6MR |
| Chemical Name | methyl 2-{[(1H-1,2,3-benzotriazol-1-yl)methyl](2-methoxy-2-oxoethyl)amino}acetate |
| IUPAC Name | methyl 2-[benzotriazol-1-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate |
| InChI | InChI=1S/C13H16N4O4/c1-20-12(18)7-16(8-13(19)21-2)9-17-11-6-4-3-5-10(11)14-15-17/h3-6H,7-9H2,1-2H3 |
| InChI Key | HRZADSQZTNSOMN-UHFFFAOYSA-N |
| MDL Number | MFCD01651592 |
| Molecular Formula | C13H16N4O4 |
| Molecular Weight | 292.2905 |
| SMILES | COC(CN(CN1C2=C(C=CC=C2)N=N1)CC(OC)=O)=O |
| Synonyms | methyl 2-{[(1H-1,2,3-benzotriazol-1-yl)methyl](2-methoxy-2-oxoethyl)amino}acetate,
304460-09-1,
AC1NA62O,
ZINC34877357,
methyl 2-[benzotriazol-1-ylmethyl-(2-methoxy-2-oxoethyl)amino]acetate,
CID4421767,
Methyl 2-(benzotriazol-1-ylmethyl-(methoxycarbonylmethyl)amino)acetate,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.295g/mol |
| Monoisotopic Mass | 292.117g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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