AE18509
1057961-75-7 | tert-Butyl 4-bromo-3-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE18509
ChemicalName
tert-Butyl 4-bromo-3-fluorobenzoate
CasNumber
1057961-75-7
MolecularFormula
C11H12BrFO2
MolecularWeight
275.1142
MdlNumber
MFCD08703424
Smiles
O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AE18509
ChemicalName: tert-Butyl 4-bromo-3-fluorobenzoate
CasNumber: 1057961-75-7
MolecularFormula: C11H12BrFO2
MolecularWeight: 275.1142
MdlNumber: MFCD08703424
Smiles: O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AE18509
ChemicalName:
tert-Butyl 4-bromo-3-fluorobenzoate
CasNumber:
1057961-75-7
MolecularFormula:
C11H12BrFO2
MolecularWeight:
275.1142
MdlNumber:
MFCD08703424
Smiles:
O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1Cc2c(C1)ncnc2Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1Cc2c(C1)ncnc2Cl)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE18511
ChemicalName: 3,4-dimethoxypyridine
CasNumber: 109613-93-6
MolecularFormula: C7H9NO2
MolecularWeight: 139.15186
MdlNumber: MFCD04037427
Smiles: COc1cnccc1OC
Complexity: 97.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AE18511
ChemicalName:
3,4-dimethoxypyridine
CasNumber:
109613-93-6
MolecularFormula:
C7H9NO2
MolecularWeight:
139.15186
MdlNumber:
MFCD04037427
Smiles:
COc1cnccc1OC
Complexity:
97.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(C=O)ncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(C=O)ncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__