Basic information
- CAS
1805458-07-4- Standard SMILES
COC(=O)c1c(Cl)ccc(C(F)(F)F)c1F- InChIKey
MMOOQXIJQZWRJJ-UHFFFAOYSA-N- Molecular formula
- C9H5ClF4O2
- Average molar mass
- 256.58 g/mol
- Monoisotopic mass
- 255.9914197
Names & identifiers
- Preferred name
- Methyl 6-chloro-2-fluoro-3-(trifluoromethyl)benzoate
- IUPAC
- methyl 6-chloro-2-fluoro-3-(trifluoromethyl)benzoate
- English name
- Benzoic acid, 6-chloro-2-fluoro-3-(trifluoromethyl)-, methyl ester
- Molecular formula
- C9H5ClF4O2
- Molecular weight
- 256.58
Names & synonyms
Methyl 6-chloro-2-fluoro-3-(trifluoromethyl)benzoate1805458-07-4MFCD28752649AS-96599SY516208F72264F864799Methyl6-chloro-2-fluoro-3-(trifluoromethyl)benzoateBenzoic acid, 6-chloro-2-fluoro-3-(trifluoromethyl)-, methyl ester
Database identifiers
- CAS
1805458-07-4- PubChem CID
- 134646315
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 257 · 257.0±40.0 °C(Predicted)
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to off-white Solid
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
Huadong Medicine (Xi'an)Bodyguard Pharmaceutical Co.,Ltd.+86-029-86185165 +86-18629664246 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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