AD94654
850864-60-7 | 2-Benzyloxy-5-(trifluoromethyl)pyridine-3-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AD94654
ChemicalName
2-Benzyloxy-5-(trifluoromethyl)pyridine-3-boronic acid
CasNumber
850864-60-7
MolecularFormula
C13H11BF3NO3
MolecularWeight
297.0375
MdlNumber
MFCD13195242
Smiles
OB(c1cc(cnc1OCc1ccccc1)C(F)(F)F)O
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AD94654
ChemicalName: 2-Benzyloxy-5-(trifluoromethyl)pyridine-3-boronic acid
CasNumber: 850864-60-7
MolecularFormula: C13H11BF3NO3
MolecularWeight: 297.0375
MdlNumber: MFCD13195242
Smiles: OB(c1cc(cnc1OCc1ccccc1)C(F)(F)F)O
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AD94654
ChemicalName:
2-Benzyloxy-5-(trifluoromethyl)pyridine-3-boronic acid
CasNumber:
850864-60-7
MolecularFormula:
C13H11BF3NO3
MolecularWeight:
297.0375
MdlNumber:
MFCD13195242
Smiles:
OB(c1cc(cnc1OCc1ccccc1)C(F)(F)F)O
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
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Smiles: NCc1sc(nc1C)N
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
NCc1sc(nc1C)N
Complexity:
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RotatableBondCount:
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Smiles: CC1COC(=C)O1
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Smiles:
CC1COC(=C)O1
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Smiles: CCCCCCCCC=CCCCCCCCC(=O)[N-]CC
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Smiles:
CCCCCCCCC=CCCCCCCCC(=O)[N-]CC
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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