AF30836
268218-94-6 | 4-Benzoylphenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AF30836
ChemicalName
4-Benzoylphenylboronic acid
CasNumber
268218-94-6
MolecularFormula
C13H11BO3
MolecularWeight
226.0356
MdlNumber
MFCD05664212
Smiles
OB(c1ccc(cc1)C(=O)c1ccccc1)O
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AF30836
ChemicalName: 4-Benzoylphenylboronic acid
CasNumber: 268218-94-6
MolecularFormula: C13H11BO3
MolecularWeight: 226.0356
MdlNumber: MFCD05664212
Smiles: OB(c1ccc(cc1)C(=O)c1ccccc1)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AF30836
ChemicalName:
4-Benzoylphenylboronic acid
CasNumber:
268218-94-6
MolecularFormula:
C13H11BO3
MolecularWeight:
226.0356
MdlNumber:
MFCD05664212
Smiles:
OB(c1ccc(cc1)C(=O)c1ccccc1)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)/N=N/c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)/N=N/c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AF30838
ChemicalName: Sodium 4-(trifluoromethyl)benzoate
CasNumber: 25832-58-0
MolecularFormula: C8H4F3NaO2
MolecularWeight: 212.1011
MdlNumber: MFCD08458184
Smiles: [O-]C(=O)c1ccc(cc1)C(F)(F)F.[Na+]
Complexity: 197
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AF30838
ChemicalName:
Sodium 4-(trifluoromethyl)benzoate
CasNumber:
25832-58-0
MolecularFormula:
C8H4F3NaO2
MolecularWeight:
212.1011
MdlNumber:
MFCD08458184
Smiles:
[O-]C(=O)c1ccc(cc1)C(F)(F)F.[Na+]
Complexity:
197
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)NCCC(C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)NCCC(C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__