(3-((3-(Trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
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Basic information
- CAS
1704069-55-5- Standard SMILES
O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(B(O)O)c1- InChIKey
YYUDHKUGUSYLJD-UHFFFAOYSA-N- Molecular formula
- C14H11BF3NO4
- Average molar mass
- 325.05 g/mol
Names & identifiers
- Preferred name
- (3-((3-(Trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
- IUPAC
- [3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acid
- English name
- (3-((3-(trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid
- Molecular formula
- C14H11BF3NO4
- Molecular weight
- 325.05
Names & synonyms
(3-((3-(trifluoromethoxy)phenyl)carbamoyl)phenyl)boronic acid1704069-55-5[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]boronic acidMFCD28384305AB87214BS-41741CS-0062243I12514(3-((3-(trifluoromethoxy)phenyl)carbamoyl)phenyl)boronicacidB-[3-[[[3-(Trifluoromethoxy)phenyl]amino]carbonyl]phenyl]boronic acidBoronic acid, B-[3-[[[3-(trifluoromethoxy)phenyl]amino]carbonyl]phenyl]-
Database identifiers
- CAS
1704069-55-5
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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