AA02711
1005206-25-6 | 4-trifluoromethylthiophenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA02711
ChemicalName
4-trifluoromethylthiophenylboronic acid pinacol ester
CasNumber
1005206-25-6
MolecularFormula
C13H16BF3O2S
MolecularWeight
304.1361
MdlNumber
MFCD11042448
Smiles
FC(Sc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
RotatableBondCount
2
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CatalogNumber: AA02711
ChemicalName: 4-trifluoromethylthiophenylboronic acid pinacol ester
CasNumber: 1005206-25-6
MolecularFormula: C13H16BF3O2S
MolecularWeight: 304.1361
MdlNumber: MFCD11042448
Smiles: FC(Sc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
CatalogNumber:
AA02711
ChemicalName:
4-trifluoromethylthiophenylboronic acid pinacol ester
CasNumber:
1005206-25-6
MolecularFormula:
C13H16BF3O2S
MolecularWeight:
304.1361
MdlNumber:
MFCD11042448
Smiles:
FC(Sc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
CatalogNumber: __
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Smiles: OC(=O)c1ncnc2c1cc[nH]2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
OC(=O)c1ncnc2c1cc[nH]2
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(NC(=NC(C)C)OC1CCCCC1)C
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Smiles:
CC(NC(=NC(C)C)OC1CCCCC1)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CCCCCN(CCC#N)CCCCC
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Smiles:
CCCCCN(CCC#N)CCCCC
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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