AB60729
728-40-5 | 2,6-Di-tert-butyl-4-nitrophenol
Manufacturer: A2B Chem
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CatalogNumber
AB60729
ChemicalName
2,6-Di-tert-butyl-4-nitrophenol
CasNumber
728-40-5
MolecularFormula
C14H21NO3
MolecularWeight
251.3214
MdlNumber
MFCD00664710
Smiles
[O-][N+](=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NscNumber
81682
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.7
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CatalogNumber: AB60729
ChemicalName: 2,6-Di-tert-butyl-4-nitrophenol
CasNumber: 728-40-5
MolecularFormula: C14H21NO3
MolecularWeight: 251.3214
MdlNumber: MFCD00664710
Smiles: [O-][N+](=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NscNumber: 81682
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.7
CatalogNumber:
AB60729
ChemicalName:
2,6-Di-tert-butyl-4-nitrophenol
CasNumber:
728-40-5
MolecularFormula:
C14H21NO3
MolecularWeight:
251.3214
MdlNumber:
MFCD00664710
Smiles:
[O-][N+](=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NscNumber:
81682
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.7
CatalogNumber: __
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Smiles: CC(c1ccc2c(c1)ccc(c2)C(C)(C)C)(C)C
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Complexity: __
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Smiles:
CC(c1ccc2c(c1)ccc(c2)C(C)(C)C)(C)C
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Smiles: CC(c1cc(nc(c1)C(C)(C)C)C(C)(C)C)CC(c1cc(nc(c1)C(C)(C)C)C(C)(C)C)CCc1cc(nc(c1)C(C)(C)C)C(C)(C)C
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Smiles:
CC(c1cc(nc(c1)C(C)(C)C)C(C)(C)C)CC(c1cc(nc(c1)C(C)(C)C)C(C)(C)C)CCc1cc(nc(c1)C(C)(C)C)C(C)(C)C
NscNumber:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[K+].[K+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-].[K+].[K+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__