AE16388
1084953-47-8 | 5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE16388
ChemicalName
5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester
CasNumber
1084953-47-8
MolecularFormula
C12H15BF3NO2
MolecularWeight
273.0592
MdlNumber
MFCD12198142
Smiles
CC1(C)OB(OC1(C)C)c1cncc(c1)C(F)(F)F
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
RotatableBondCount
1
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CatalogNumber: AE16388
ChemicalName: 5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester
CasNumber: 1084953-47-8
MolecularFormula: C12H15BF3NO2
MolecularWeight: 273.0592
MdlNumber: MFCD12198142
Smiles: CC1(C)OB(OC1(C)C)c1cncc(c1)C(F)(F)F
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
CatalogNumber:
AE16388
ChemicalName:
5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester
CasNumber:
1084953-47-8
MolecularFormula:
C12H15BF3NO2
MolecularWeight:
273.0592
MdlNumber:
MFCD12198142
Smiles:
CC1(C)OB(OC1(C)C)c1cncc(c1)C(F)(F)F
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
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Smiles: COC(c1ncc(cc1OC)Br)OC
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COC(c1ncc(cc1OC)Br)OC
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Smiles: OB(c1cnc(c(c1)C)N)O
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Smiles:
OB(c1cnc(c(c1)C)N)O
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Smiles: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N
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Smiles:
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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