AD46643
325142-87-8 | 3-(N,N-Dimethylamino)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AD46643
ChemicalName
3-(N,N-Dimethylamino)phenylboronic acid, pinacol ester
CasNumber
325142-87-8
MolecularFormula
C14H22BNO2
MolecularWeight
247.141
MdlNumber
MFCD06795669
Smiles
CN(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
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CatalogNumber: AD46643
ChemicalName: 3-(N,N-Dimethylamino)phenylboronic acid, pinacol ester
CasNumber: 325142-87-8
MolecularFormula: C14H22BNO2
MolecularWeight: 247.141
MdlNumber: MFCD06795669
Smiles: CN(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
CatalogNumber:
AD46643
ChemicalName:
3-(N,N-Dimethylamino)phenylboronic acid, pinacol ester
CasNumber:
325142-87-8
MolecularFormula:
C14H22BNO2
MolecularWeight:
247.141
MdlNumber:
MFCD06795669
Smiles:
CN(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
CatalogNumber: AD46644
ChemicalName: 3-Trifluoromethylphenylboronic acid, pinacol ester
CasNumber: 325142-82-3
MolecularFormula: C13H16BF3O2
MolecularWeight: 272.07114959999996
MdlNumber: MFCD05863925
Smiles: CC1(C)OB(OC1(C)C)c1cccc(c1)C(F)(F)F
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
CatalogNumber:
AD46644
ChemicalName:
3-Trifluoromethylphenylboronic acid, pinacol ester
CasNumber:
325142-82-3
MolecularFormula:
C13H16BF3O2
MolecularWeight:
272.07114959999996
MdlNumber:
MFCD05863925
Smiles:
CC1(C)OB(OC1(C)C)c1cccc(c1)C(F)(F)F
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
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Smiles: CC1(C)OB(OC1(C)C)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)B1OC(C(O1)(C)C)(C)C
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Smiles:
CC1(C)OB(OC1(C)C)c1ccc2-c3c(C(c2c1)(C)C)cc(cc3)B1OC(C(O1)(C)C)(C)C
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Smiles: OC(=O)C1(C)CC2CC1CC2
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Smiles:
OC(=O)C1(C)CC2CC1CC2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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