AA54516
1218790-15-8 | 3-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54516
ChemicalName
3-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber
1218790-15-8
MolecularFormula
C13H14BClFNO2
MolecularWeight
281.5182
MdlNumber
MFCD15143597
Smiles
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F
Complexity
393
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
1
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CatalogNumber: AA54516
ChemicalName: 3-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber: 1218790-15-8
MolecularFormula: C13H14BClFNO2
MolecularWeight: 281.5182
MdlNumber: MFCD15143597
Smiles: N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F
Complexity: 393
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AA54516
ChemicalName:
3-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber:
1218790-15-8
MolecularFormula:
C13H14BClFNO2
MolecularWeight:
281.5182
MdlNumber:
MFCD15143597
Smiles:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F
Complexity:
393
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: AA54517
ChemicalName: 4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber: 1218790-13-6
MolecularFormula: C13H14BClFNO2
MolecularWeight: 281.5182
MdlNumber: MFCD13195765
Smiles: N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1Cl)F
Complexity: 393
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AA54517
ChemicalName:
4-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber:
1218790-13-6
MolecularFormula:
C13H14BClFNO2
MolecularWeight:
281.5182
MdlNumber:
MFCD13195765
Smiles:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(cc1Cl)F
Complexity:
393
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=C(Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity: 478
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
O=C(Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity:
478
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1(C)OB(OC1(C)C)[C@@H]1CCCC[C@H]1B1OC(C(O1)(C)C)(C)C
Complexity: __
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CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1(C)OB(OC1(C)C)[C@@H]1CCCC[C@H]1B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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