AB68362
87-18-3 | Salicylic acid 4-tert-butylphenyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB68362
ChemicalName
Salicylic acid 4-tert-butylphenyl ester
CasNumber
87-18-3
MolecularFormula
C17H18O3
MolecularWeight
270.32302
MdlNumber
MFCD00045759
Smiles
O=C(c1ccccc1O)Oc1ccc(cc1)C(C)(C)C
NscNumber
33404
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
5.5
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CatalogNumber: AB68362
ChemicalName: Salicylic acid 4-tert-butylphenyl ester
CasNumber: 87-18-3
MolecularFormula: C17H18O3
MolecularWeight: 270.32302
MdlNumber: MFCD00045759
Smiles: O=C(c1ccccc1O)Oc1ccc(cc1)C(C)(C)C
NscNumber: 33404
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 5.5
CatalogNumber:
AB68362
ChemicalName:
Salicylic acid 4-tert-butylphenyl ester
CasNumber:
87-18-3
MolecularFormula:
C17H18O3
MolecularWeight:
270.32302
MdlNumber:
MFCD00045759
Smiles:
O=C(c1ccccc1O)Oc1ccc(cc1)C(C)(C)C
NscNumber:
33404
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
5.5
CatalogNumber: AB68363
ChemicalName: 4-tert-Butylphenylacetonitrile
CasNumber: 3288-99-1
MolecularFormula: C12H15N
MolecularWeight: 173.2542
MdlNumber: MFCD00128112
Smiles: N#CCc1ccc(cc1)C(C)(C)C
NscNumber: 85354
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB68363
ChemicalName:
4-tert-Butylphenylacetonitrile
CasNumber:
3288-99-1
MolecularFormula:
C12H15N
MolecularWeight:
173.2542
MdlNumber:
MFCD00128112
Smiles:
N#CCc1ccc(cc1)C(C)(C)C
NscNumber:
85354
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Br[Mg]c1ccc(cc1)C(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Br[Mg]c1ccc(cc1)C(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)c1ccc(cc1)C(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)c1ccc(cc1)C(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__