AA06567
1016979-31-9 | 3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA06567
ChemicalName
3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber
1016979-31-9
MolecularFormula
C14H18BFO4
MolecularWeight
280.0997
MdlNumber
MFCD12546616
Smiles
COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
3
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CatalogNumber: AA06567
ChemicalName: 3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber: 1016979-31-9
MolecularFormula: C14H18BFO4
MolecularWeight: 280.0997
MdlNumber: MFCD12546616
Smiles: COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
CatalogNumber:
AA06567
ChemicalName:
3-Fluoro-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber:
1016979-31-9
MolecularFormula:
C14H18BFO4
MolecularWeight:
280.0997
MdlNumber:
MFCD12546616
Smiles:
COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
CatalogNumber: __
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Smiles: COC(=O)c1cc(ccc1OC)C1CCNCC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
COC(=O)c1cc(ccc1OC)C1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=Cc1cc(OCc2ccccc2)c(c(c1)[N+](=O)[O-])I
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Smiles:
O=Cc1cc(OCc2ccccc2)c(c(c1)[N+](=O)[O-])I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: COc1cc(ccc1O)C[C@@]1(O)CO[C@@H]([C@H]1COC(=O)C)c1ccc(c(c1)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(ccc1O)C[C@@]1(O)CO[C@@H]([C@H]1COC(=O)C)c1ccc(c(c1)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__