AE10011
1072945-06-2 | 4-Methyl-3-nitrophenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE10011
ChemicalName
4-Methyl-3-nitrophenylboronic acid pinacol ester
CasNumber
1072945-06-2
MolecularFormula
C13H18BNO4
MolecularWeight
263.0973
MdlNumber
MFCD09027080
Smiles
[O-][N+](=O)c1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Complexity
350
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
1
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CatalogNumber: AE10011
ChemicalName: 4-Methyl-3-nitrophenylboronic acid pinacol ester
CasNumber: 1072945-06-2
MolecularFormula: C13H18BNO4
MolecularWeight: 263.0973
MdlNumber: MFCD09027080
Smiles: [O-][N+](=O)c1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AE10011
ChemicalName:
4-Methyl-3-nitrophenylboronic acid pinacol ester
CasNumber:
1072945-06-2
MolecularFormula:
C13H18BNO4
MolecularWeight:
263.0973
MdlNumber:
MFCD09027080
Smiles:
[O-][N+](=O)c1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: AE10013
ChemicalName: 1-(t-Butoxycarbonyl)pyrazole-4-boronic acid
CasNumber: 1188405-87-9
MolecularFormula: C8H13BN2O4
MolecularWeight: 212.0108
MdlNumber: MFCD09951915
Smiles: OB(c1cnn(c1)C(=O)OC(C)(C)C)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
CatalogNumber:
AE10013
ChemicalName:
1-(t-Butoxycarbonyl)pyrazole-4-boronic acid
CasNumber:
1188405-87-9
MolecularFormula:
C8H13BN2O4
MolecularWeight:
212.0108
MdlNumber:
MFCD09951915
Smiles:
OB(c1cnn(c1)C(=O)OC(C)(C)C)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
CatalogNumber: AE10014
ChemicalName: Piperidine-4-boronic acid pinacol ester
CasNumber: 1087160-40-4
MolecularFormula: C11H22BNO2
MolecularWeight: 211.1089
MdlNumber: MFCD11506079
Smiles: CC1(C)OB(OC1(C)C)C1CCNCC1
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AE10014
ChemicalName:
Piperidine-4-boronic acid pinacol ester
CasNumber:
1087160-40-4
MolecularFormula:
C11H22BNO2
MolecularWeight:
211.1089
MdlNumber:
MFCD11506079
Smiles:
CC1(C)OB(OC1(C)C)C1CCNCC1
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
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Smiles: Fc1c(B2OC(C(O2)(C)C)(C)C)c(F)c(c(c1F)C(F)(F)F)F
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Smiles:
Fc1c(B2OC(C(O2)(C)C)(C)C)c(F)c(c(c1F)C(F)(F)F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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