AB24882
2455-14-3 | 3,3',5,5'-Tetra-tert-butyldiphenoquinone
Manufacturer: A2B Chem
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CatalogNumber
AB24882
ChemicalName
3,3',5,5'-Tetra-tert-butyldiphenoquinone
CasNumber
2455-14-3
MolecularFormula
C28H40O2
MolecularWeight
408.616
MdlNumber
MFCD00051798
Smiles
CC(C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C
NscNumber
14478
Complexity
779
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
7.9
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CatalogNumber: AB24882
ChemicalName: 3,3',5,5'-Tetra-tert-butyldiphenoquinone
CasNumber: 2455-14-3
MolecularFormula: C28H40O2
MolecularWeight: 408.616
MdlNumber: MFCD00051798
Smiles: CC(C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C
NscNumber: 14478
Complexity: 779
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 7.9
CatalogNumber:
AB24882
ChemicalName:
3,3',5,5'-Tetra-tert-butyldiphenoquinone
CasNumber:
2455-14-3
MolecularFormula:
C28H40O2
MolecularWeight:
408.616
MdlNumber:
MFCD00051798
Smiles:
CC(C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C
NscNumber:
14478
Complexity:
779
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
7.9
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Smiles: COC(=O)c1cc(Br)c(cc1Br)C
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COC(=O)c1cc(Br)c(cc1Br)C
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Smiles: Nc1ccc2c(c1)CCN(C2)C(=O)C
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Nc1ccc2c(c1)CCN(C2)C(=O)C
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Smiles: Nc1cccc(c1)c1nccn1C
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Nc1cccc(c1)c1nccn1C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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