AB47664
844501-71-9 | Pyrazole-3-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB47664
ChemicalName
Pyrazole-3-boronic acid, pinacol ester
CasNumber
844501-71-9
MolecularFormula
C9H15BN2O2
MolecularWeight
194.0386
MdlNumber
MFCD07368044
Smiles
CC1(C)OB(OC1(C)C)c1cc[nH]n1
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB47664
ChemicalName: Pyrazole-3-boronic acid, pinacol ester
CasNumber: 844501-71-9
MolecularFormula: C9H15BN2O2
MolecularWeight: 194.0386
MdlNumber: MFCD07368044
Smiles: CC1(C)OB(OC1(C)C)c1cc[nH]n1
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB47664
ChemicalName:
Pyrazole-3-boronic acid, pinacol ester
CasNumber:
844501-71-9
MolecularFormula:
C9H15BN2O2
MolecularWeight:
194.0386
MdlNumber:
MFCD07368044
Smiles:
CC1(C)OB(OC1(C)C)c1cc[nH]n1
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AB47665
ChemicalName: Pinosylvin
CasNumber: 22139-77-1
MolecularFormula: C14H12O2
MolecularWeight: 212.2439
MdlNumber: MFCD00210544
Smiles: Oc1cc(/C=C/c2ccccc2)cc(c1)O
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AB47665
ChemicalName:
Pinosylvin
CasNumber:
22139-77-1
MolecularFormula:
C14H12O2
MolecularWeight:
212.2439
MdlNumber:
MFCD00210544
Smiles:
Oc1cc(/C=C/c2ccccc2)cc(c1)O
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(nc(n1)OC)[N+]1(C)CCOCC1.[Cl-]
Complexity: 236
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(nc(n1)OC)[N+]1(C)CCOCC1.[Cl-]
Complexity:
236
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ccc(c(c1)C(=O)N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NC(=O)c1ccc(c(c1)C(=O)N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__