AB70969
464-72-2 | Benzopinacol
Manufacturer: A2B Chem
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CatalogNumber
AB70969
ChemicalName
Benzopinacol
CasNumber
464-72-2
MolecularFormula
C26H22O2
MolecularWeight
366.4517
MdlNumber
MFCD00004448
Smiles
OC(C(c1ccccc1)(c1ccccc1)O)(c1ccccc1)c1ccccc1
Complexity
383
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.9
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CatalogNumber: AB70969
ChemicalName: Benzopinacol
CasNumber: 464-72-2
MolecularFormula: C26H22O2
MolecularWeight: 366.4517
MdlNumber: MFCD00004448
Smiles: OC(C(c1ccccc1)(c1ccccc1)O)(c1ccccc1)c1ccccc1
Complexity: 383
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.9
CatalogNumber:
AB70969
ChemicalName:
Benzopinacol
CasNumber:
464-72-2
MolecularFormula:
C26H22O2
MolecularWeight:
366.4517
MdlNumber:
MFCD00004448
Smiles:
OC(C(c1ccccc1)(c1ccccc1)O)(c1ccccc1)c1ccccc1
Complexity:
383
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.9
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)[O-])c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)[O-].[Na+].[Na+]
Complexity: __
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Smiles:
Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)[O-])c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: n1ccc([nH]1)c1nc2c(s1)cccc2
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Smiles:
n1ccc([nH]1)c1nc2c(s1)cccc2
Complexity:
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Smiles: c1csc(c1)c1nc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
c1csc(c1)c1nc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__