1-(2,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Basic information
- CAS
102879-02-7- Standard SMILES
Cc1c(C(=O)O)nnn1-c1ccc(Cl)cc1Cl- InChIKey
VDFOLUDUJCTIHG-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3O2
- Average molar mass
- 272.08 g/mol
- Monoisotopic mass
- 270.9915319
Names & identifiers
- Preferred name
- 1-(2,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-(2,4-dichlorophenyl)-5-methyltriazole-4-carboxylic acid
Names & synonyms
1-(2,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid102879-02-71-(2,4-dichlorophenyl)-5-methyltriazole-4-carboxylic acid1H-1,2,3-Triazole-4-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-NSC184841SCHEMBL17260084SCHEMBL31095560VDFOLUDUJCTIHG-UHFFFAOYSA-NDTXSID201163019AKOS002679020NSC-184841TS-00912
Show more names
1-(2,4-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylicacid
Database identifiers
- CAS
102879-02-7- PubChem CID
- 302172
- DTXSID
DTXSID201163019
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
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