AD38517
1126779-11-0 | 1-(THP)-3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AD38517
ChemicalName
1-(THP)-3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
CasNumber
1126779-11-0
MolecularFormula
C16H27BN2O3
MolecularWeight
306.2082
MdlNumber
MFCD12031452
Smiles
Cc1nn(c(c1B1OC(C(O1)(C)C)(C)C)C)C1CCCCO1
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD38517
ChemicalName: 1-(THP)-3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
CasNumber: 1126779-11-0
MolecularFormula: C16H27BN2O3
MolecularWeight: 306.2082
MdlNumber: MFCD12031452
Smiles: Cc1nn(c(c1B1OC(C(O1)(C)C)(C)C)C)C1CCCCO1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD38517
ChemicalName:
1-(THP)-3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
CasNumber:
1126779-11-0
MolecularFormula:
C16H27BN2O3
MolecularWeight:
306.2082
MdlNumber:
MFCD12031452
Smiles:
Cc1nn(c(c1B1OC(C(O1)(C)C)(C)C)C)C1CCCCO1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: AD38519
ChemicalName: 3-(1H-Imidazol-1-yl)aniline
CasNumber: 112677-67-5
MolecularFormula: C9H9N3
MolecularWeight: 159.1879
MdlNumber: MFCD09258808
Smiles: Nc1cccc(c1)n1cncc1
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
CatalogNumber:
AD38519
ChemicalName:
3-(1H-Imidazol-1-yl)aniline
CasNumber:
112677-67-5
MolecularFormula:
C9H9N3
MolecularWeight:
159.1879
MdlNumber:
MFCD09258808
Smiles:
Nc1cccc(c1)n1cncc1
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C([2H])([2H])[2H])C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C([2H])([2H])[2H])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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Smiles: [N-]=[N+]=NCCCCCCCCCCCCCCCC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NCCCCCCCCCCCCCCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__