AA55975
1225069-85-1 | 5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA55975
ChemicalName
5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester
CasNumber
1225069-85-1
MolecularFormula
C20H21BF3NO3
MolecularWeight
391.1918
MdlNumber
MFCD11844801
Smiles
O=C(c1cccc(c1)C(F)(F)F)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
566
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AA55975
ChemicalName: 5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester
CasNumber: 1225069-85-1
MolecularFormula: C20H21BF3NO3
MolecularWeight: 391.1918
MdlNumber: MFCD11844801
Smiles: O=C(c1cccc(c1)C(F)(F)F)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 566
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA55975
ChemicalName:
5-[3-(Trifluoromethyl)benzoylamino]benzene boronic acid pinacol ester
CasNumber:
1225069-85-1
MolecularFormula:
C20H21BF3NO3
MolecularWeight:
391.1918
MdlNumber:
MFCD11844801
Smiles:
O=C(c1cccc(c1)C(F)(F)F)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
566
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
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Smiles: COC(=O)c1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
COC(=O)c1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
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Smiles: CC(=O)NC[C@H]1CNCC1
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CC(=O)NC[C@H]1CNCC1
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Smiles: CC1(C)OB(OC1(C)C)C1=CCN(CC1)c1ccccc1
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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)C1=CCN(CC1)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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