AA12385
1138-52-9 | 3,5-Di-tert-butylphenol
Manufacturer: A2B Chem
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CatalogNumber
AA12385
ChemicalName
3,5-Di-tert-butylphenol
CasNumber
1138-52-9
MolecularFormula
C14H22O
MolecularWeight
206.3239
MdlNumber
MFCD00008829
Smiles
Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C
NscNumber
68209
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.9
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CatalogNumber: AA12385
ChemicalName: 3,5-Di-tert-butylphenol
CasNumber: 1138-52-9
MolecularFormula: C14H22O
MolecularWeight: 206.3239
MdlNumber: MFCD00008829
Smiles: Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C
NscNumber: 68209
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.9
CatalogNumber:
AA12385
ChemicalName:
3,5-Di-tert-butylphenol
CasNumber:
1138-52-9
MolecularFormula:
C14H22O
MolecularWeight:
206.3239
MdlNumber:
MFCD00008829
Smiles:
Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C
NscNumber:
68209
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(n1cncc1)/C=C/c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(n1cncc1)/C=C/c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccs1)CC(=O)c1cccs1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccs1)CC(=O)c1cccs1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncc(cc1F)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ncc(cc1F)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__