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Basic information
- CAS
1801782-88-6- Standard SMILES
COC(=O)c1cc(C(F)(F)F)cc(C)c1N- InChIKey
YPCBQEXTYWHJKZ-UHFFFAOYSA-N- Molecular formula
- C10H10F3NO2
- Average molar mass
- 233.19 g/mol
- Monoisotopic mass
- 233.06636322
Names & identifiers
- Preferred name
- Methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoate
- IUPAC
- methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoate
Names & synonyms
Methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoateSCHEMBL16929808DTXSID601168647Benzoic acid, 2-amino-3-methyl-5-(trifluoromethyl)-, methyl ester1801782-88-6
Database identifiers
- CAS
1801782-88-6- PubChem CID
- 118251663
- DTXSID
DTXSID601168647
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
3 records
Compound notes
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