AC17975
863868-28-4 | 2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AC17975
ChemicalName
2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber
863868-28-4
MolecularFormula
C14H15BF3NO2
MolecularWeight
297.0806
MdlNumber
MFCD12407221
Smiles
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity
439
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
1
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CatalogNumber: AC17975
ChemicalName: 2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber: 863868-28-4
MolecularFormula: C14H15BF3NO2
MolecularWeight: 297.0806
MdlNumber: MFCD12407221
Smiles: N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity: 439
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
CatalogNumber:
AC17975
ChemicalName:
2-Cyano-5-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber:
863868-28-4
MolecularFormula:
C14H15BF3NO2
MolecularWeight:
297.0806
MdlNumber:
MFCD12407221
Smiles:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
Complexity:
439
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
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Smiles: N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)NC(=O)C
Complexity: __
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Smiles:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)NC(=O)C
Complexity:
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Smiles: CS(=O)(=O)O.Fc1ccc(c(c1)F)C1(CO1)CN1CN=CN1
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Smiles:
CS(=O)(=O)O.Fc1ccc(c(c1)F)C1(CO1)CN1CN=CN1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Fc1ccc(c(c1)F)C1(CO1)Cn1cncn1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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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:
Fc1ccc(c(c1)F)C1(CO1)Cn1cncn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__