Basic information
- CAS
90997-14-1- Standard SMILES
COC(=O)c1nnn(Cc2ccccc2)c1Cl- InChIKey
HIOCTRANYNIBAN-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O2
- Average molar mass
- 251.67 g/mol
- Monoisotopic mass
- 251.0461543
Names & identifiers
- Preferred name
- Methyl 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylate
- IUPAC
- methyl 1-benzyl-5-chlorotriazole-4-carboxylate
- English name
- methyl 1-benzyl-5-chloro-triazole-4-carboxylate
- Molecular formula
- C11H10ClN3O2
- Molecular weight
- 0
Names & synonyms
90997-14-1DTXSID40320491Methyl 1-benzyl-5-chloro-1H-1,2,3-triazole-4-carboxylateRefChem:353318DTXCID60271613METHYL 1-BENZYL-5-CHLORO-TRIAZOLE-4-CARBOXYLATENSC360330AKOS038557233NSC-360330
Database identifiers
- CAS
90997-14-1- PubChem CID
- 338355
- DTXSID
DTXSID40320491
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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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