Basic information
- CAS
1805073-08-8- Standard SMILES
COC(=O)c1cc(Cl)cc(C(F)(F)F)c1N- InChIKey
CZEWCRFLIFTSAM-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO2
- Average molar mass
- 253.6 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-5-chloro-3-(trifluoromethyl)benzoate
- IUPAC
- methyl 2-amino-5-chloro-3-(trifluoromethyl)benzoate
- English name
- 2-Amino-5-chloro-3-trifluoromethyl-benzoic acid methyl ester
- Molecular formula
- C9H7ClF3NO2
- Molecular weight
- 253.61
Names & synonyms
Methyl 2-amino-5-chloro-3-(trifluoromethyl)benzoate1805073-08-8MFCD28721376Methyl 2-Amino-5-chloro-3-trifluoromethyl-benzoate2-Amino-5-chloro-3-trifluoromethyl-benzoic acid methyl esterBenzoic acid, 2-amino-5-chloro-3-(trifluoromethyl)-, methyl ester
Database identifiers
- CAS
1805073-08-8
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 272
Physicochemical properties
- Boiling point
- 291.1 · 291.1±40.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- pka
- -1.01 · -1.01±0.13(Predicted)
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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