AI49659
393877-09-3 | 2-Aminophenylboronic acid, pinacol ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AI49659
ChemicalName
2-Aminophenylboronic acid, pinacol ester, HCl
CasNumber
393877-09-3
MolecularFormula
C12H19BClNO2
MolecularWeight
255.5488
MdlNumber
MFCD02179449
Smiles
Nc1ccccc1B1OC(C(O1)(C)C)(C)C.Cl
Complexity
252
Covalently-bondedUnitCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AI49659
ChemicalName: 2-Aminophenylboronic acid, pinacol ester, HCl
CasNumber: 393877-09-3
MolecularFormula: C12H19BClNO2
MolecularWeight: 255.5488
MdlNumber: MFCD02179449
Smiles: Nc1ccccc1B1OC(C(O1)(C)C)(C)C.Cl
Complexity: 252
Covalently-bondedUnitCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI49659
ChemicalName:
2-Aminophenylboronic acid, pinacol ester, HCl
CasNumber:
393877-09-3
MolecularFormula:
C12H19BClNO2
MolecularWeight:
255.5488
MdlNumber:
MFCD02179449
Smiles:
Nc1ccccc1B1OC(C(O1)(C)C)(C)C.Cl
Complexity:
252
Covalently-bondedUnitCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AI49660
ChemicalName: Methyl 2-fluorobenzoate
CasNumber: 394-35-4
MolecularFormula: C8H7FO2
MolecularWeight: 154.1384
MdlNumber: MFCD00017913
Smiles: COC(=O)c1ccccc1F
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AI49660
ChemicalName:
Methyl 2-fluorobenzoate
CasNumber:
394-35-4
MolecularFormula:
C8H7FO2
MolecularWeight:
154.1384
MdlNumber:
MFCD00017913
Smiles:
COC(=O)c1ccccc1F
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)F)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)F)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C(F)(F)F)(F)F)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C(F)(F)F)(F)F)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__