AE34939
1255574-70-9 | 3-t-Butyl-1-(2-hydroxyethyl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AE34939
ChemicalName
3-t-Butyl-1-(2-hydroxyethyl)pyrazole
CasNumber
1255574-70-9
MolecularFormula
C9H16N2O
MolecularWeight
168.2361
MdlNumber
MFCD17214256
Smiles
OCCn1ccc(n1)C(C)(C)C
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AE34939
ChemicalName: 3-t-Butyl-1-(2-hydroxyethyl)pyrazole
CasNumber: 1255574-70-9
MolecularFormula: C9H16N2O
MolecularWeight: 168.2361
MdlNumber: MFCD17214256
Smiles: OCCn1ccc(n1)C(C)(C)C
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AE34939
ChemicalName:
3-t-Butyl-1-(2-hydroxyethyl)pyrazole
CasNumber:
1255574-70-9
MolecularFormula:
C9H16N2O
MolecularWeight:
168.2361
MdlNumber:
MFCD17214256
Smiles:
OCCn1ccc(n1)C(C)(C)C
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AE34940
ChemicalName: 4-(N,N-Dimethylaminocarbonyl)methylphenylboronic acid, pinacol ester
CasNumber: 1256359-80-4
MolecularFormula: C16H24BNO3
MolecularWeight: 289.17766
MdlNumber: MFCD16660304
Smiles: CN(C(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE34940
ChemicalName:
4-(N,N-Dimethylaminocarbonyl)methylphenylboronic acid, pinacol ester
CasNumber:
1256359-80-4
MolecularFormula:
C16H24BNO3
MolecularWeight:
289.17766
MdlNumber:
MFCD16660304
Smiles:
CN(C(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AE34941
ChemicalName: 4-(N-Cbz-N-isopropylamino)phenylboronic acid, pinacol ester
CasNumber: 1256360-23-2
MolecularFormula: C23H30BNO4
MolecularWeight: 395.2996
MdlNumber: MFCD16660306
Smiles: CC(N(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)OCc1ccccc1)C
Complexity: 535
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AE34941
ChemicalName:
4-(N-Cbz-N-isopropylamino)phenylboronic acid, pinacol ester
CasNumber:
1256360-23-2
MolecularFormula:
C23H30BNO4
MolecularWeight:
395.2996
MdlNumber:
MFCD16660306
Smiles:
CC(N(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)OCc1ccccc1)C
Complexity:
535
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: AE34942
ChemicalName: 4-(N-Methylaminocarbonyl)methylphenylboronic acid, pinacol ester
CasNumber: 1256359-34-8
MolecularFormula: C15H22BNO3
MolecularWeight: 275.1511
MdlNumber: MFCD16660303
Smiles: CNC(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE34942
ChemicalName:
4-(N-Methylaminocarbonyl)methylphenylboronic acid, pinacol ester
CasNumber:
1256359-34-8
MolecularFormula:
C15H22BNO3
MolecularWeight:
275.1511
MdlNumber:
MFCD16660303
Smiles:
CNC(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
__