AI44977
214360-57-3 | 4-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI44977
ChemicalName
4-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester
CasNumber
214360-57-3
MolecularFormula
C14H20BNO3
MolecularWeight
261.1245
MdlNumber
MFCD06795690
Smiles
CNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity
333
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AI44977
ChemicalName: 4-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester
CasNumber: 214360-57-3
MolecularFormula: C14H20BNO3
MolecularWeight: 261.1245
MdlNumber: MFCD06795690
Smiles: CNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AI44977
ChemicalName:
4-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester
CasNumber:
214360-57-3
MolecularFormula:
C14H20BNO3
MolecularWeight:
261.1245
MdlNumber:
MFCD06795690
Smiles:
CNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AI44978
ChemicalName: 4-Trifluoromethylphenylboronic acid, pinacol ester
CasNumber: 214360-65-3
MolecularFormula: C13H16BF3O2
MolecularWeight: 272.0711
MdlNumber: MFCD05863924
Smiles: FC(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AI44978
ChemicalName:
4-Trifluoromethylphenylboronic acid, pinacol ester
CasNumber:
214360-65-3
MolecularFormula:
C13H16BF3O2
MolecularWeight:
272.0711
MdlNumber:
MFCD05863924
Smiles:
FC(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1cscc1
Complexity: 214
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1cscc1
Complexity:
214
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI44980
ChemicalName: 3-Bromomethylphenylboronic acid, pinacol ester
CasNumber: 214360-74-4
MolecularFormula: C13H18BBrO2
MolecularWeight: 296.9958
MdlNumber: MFCD02183481
Smiles: BrCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AI44980
ChemicalName:
3-Bromomethylphenylboronic acid, pinacol ester
CasNumber:
214360-74-4
MolecularFormula:
C13H18BBrO2
MolecularWeight:
296.9958
MdlNumber:
MFCD02183481
Smiles:
BrCc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2