AC06965
874459-90-2 | 4-(2,2,2-Trifluoroethylaminocarbonyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AC06965
ChemicalName
4-(2,2,2-Trifluoroethylaminocarbonyl)phenylboronic acid
CasNumber
874459-90-2
MolecularFormula
C9H9BF3NO3
MolecularWeight
246.9789
MdlNumber
MFCD08235087
Smiles
OB(c1ccc(cc1)C(=O)NCC(F)(F)F)O
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AC06965
ChemicalName: 4-(2,2,2-Trifluoroethylaminocarbonyl)phenylboronic acid
CasNumber: 874459-90-2
MolecularFormula: C9H9BF3NO3
MolecularWeight: 246.9789
MdlNumber: MFCD08235087
Smiles: OB(c1ccc(cc1)C(=O)NCC(F)(F)F)O
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AC06965
ChemicalName:
4-(2,2,2-Trifluoroethylaminocarbonyl)phenylboronic acid
CasNumber:
874459-90-2
MolecularFormula:
C9H9BF3NO3
MolecularWeight:
246.9789
MdlNumber:
MFCD08235087
Smiles:
OB(c1ccc(cc1)C(=O)NCC(F)(F)F)O
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)C(=O)NCC#C)O
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)C(=O)NCC#C)O
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C)C)Nc1cccc(c1)B(O)O
Complexity: 221
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C)C)Nc1cccc(c1)B(O)O
Complexity:
221
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AC06968
ChemicalName: 4-(Ethoxycarbonyl)-2-fluorophenylboronic acid
CasNumber: 874459-62-8
MolecularFormula: C9H10BFO4
MolecularWeight: 211.9827
MdlNumber: MFCD08458482
Smiles: CCOC(=O)c1ccc(c(c1)F)B(O)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AC06968
ChemicalName:
4-(Ethoxycarbonyl)-2-fluorophenylboronic acid
CasNumber:
874459-62-8
MolecularFormula:
C9H10BFO4
MolecularWeight:
211.9827
MdlNumber:
MFCD08458482
Smiles:
CCOC(=O)c1ccc(c(c1)F)B(O)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4