Basic information
- CAS
2708278-54-8- Standard SMILES
O=C(O)C(F)(F)Oc1ccc(Br)nc1- InChIKey
JGSLFANQCZGCFL-UHFFFAOYSA-N- Molecular formula
- C7H4BrF2NO3
- Average molar mass
- 268.01 g/mol
Names & identifiers
- Preferred name
- 2-((6-Bromopyridin-3-yl)oxy)-2,2-difluoroacetic acid
- IUPAC
- 2-[(6-bromo-3-pyridinyl)oxy]-2,2-difluoroacetic acid
- English name
- Acetic acid, 2-[(6-bromo-3-pyridinyl)oxy]-2,2-difluoro-
- Molecular formula
- C7H4BrF2NO3
- Molecular weight
- 268.01
Names & synonyms
2-((6-bromopyridin-3-yl)oxy)-2,2-difluoroacetic acid2708278-54-8WS-00280E722212-(6-bromopyridin-3-yl)oxy-2,2-difluoroacetic acid2-[(6-bromo-3-pyridyl)oxy]-2,2-difluoro-acetic acid2-[(6-Bromo-3-pyridinyl)oxy]-2,2-difluoro-acetic acidAcetic acid, 2-[(6-bromo-3-pyridinyl)oxy]-2,2-difluoro-
Database identifiers
- CAS
2708278-54-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 340.6 · 340.6±37.0 °C(Predicted)
- Density
- 1.849 · 1.849±0.06 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.10(Predicted)
Chemistry & industry
Suppliers11 total
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武汉切尔曼生物科技有限公司+86-027-81610301 +86-18986082610 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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