Basic information
- CAS
77475-32-2- Standard SMILES
CCOC(=O)Cc1nnc2ccccc2n1- InChIKey
MWAVYFFYPQEWLY-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazine-3-acetic acid, ethyl ester
- IUPAC
- ethyl 2-(1,2,4-benzotriazin-3-yl)acetate
- English name
- Ethyl 1,2,4-benzotriazine-3-acetate
- Molecular weight
- 0
Names & synonyms
77475-32-2BRN 57443371,2,4-BENZOTRIAZINE-3-ACETIC ACID, ETHYL ESTEREthyl 1,2,4-benzotriazine-3-acetateDTXSID60228187RefChem:214903DTXCID80150678ethyl 2-(benzo[e][1,2,4]triazin-3-yl)acetateSCHEMBL4650478TQP0586AKOS024387640Ethyl (1,2,4-benzotriazin-3-yl)acetate
Show more names
ethyl 2-benzo[e]1,2,4-triazin-3-ylacetateST51040478
Database identifiers
- CAS
77475-32-2- PubChem CID
- 53668
- DTXSID
DTXSID60228187
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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