AB48893
58656-98-7 | t-Butyl 4-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB48893
ChemicalName
t-Butyl 4-fluorobenzoate
CasNumber
58656-98-7
MolecularFormula
C11H13FO2
MolecularWeight
196.2181
MdlNumber
MFCD01320759
Smiles
O=C(c1ccc(cc1)F)OC(C)(C)C
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AB48893
ChemicalName: t-Butyl 4-fluorobenzoate
CasNumber: 58656-98-7
MolecularFormula: C11H13FO2
MolecularWeight: 196.2181
MdlNumber: MFCD01320759
Smiles: O=C(c1ccc(cc1)F)OC(C)(C)C
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB48893
ChemicalName:
t-Butyl 4-fluorobenzoate
CasNumber:
58656-98-7
MolecularFormula:
C11H13FO2
MolecularWeight:
196.2181
MdlNumber:
MFCD01320759
Smiles:
O=C(c1ccc(cc1)F)OC(C)(C)C
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(OCC)(OCC)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C(OCC)(OCC)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncc(c(n1)OC)Br
Complexity: 125
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ncc(c(n1)OC)Br
Complexity:
125
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC1=C/C(=N/c2ccc(cc2)[O-])/C=C(C1=O)Cl.[Na+]
Complexity: 400
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC1=C/C(=N/c2ccc(cc2)[O-])/C=C(C1=O)Cl.[Na+]
Complexity:
400
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__