AE62203
1393441-84-3 | Methyl 3-(4-cyano-3-fluorophenyl)-5-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62203
ChemicalName
Methyl 3-(4-cyano-3-fluorophenyl)-5-fluorobenzoate
CasNumber
1393441-84-3
MolecularFormula
C15H9F2NO2
MolecularWeight
273.2343
MdlNumber
MFCD22383719
Smiles
COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C#N
Complexity
406
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AE62203
ChemicalName: Methyl 3-(4-cyano-3-fluorophenyl)-5-fluorobenzoate
CasNumber: 1393441-84-3
MolecularFormula: C15H9F2NO2
MolecularWeight: 273.2343
MdlNumber: MFCD22383719
Smiles: COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C#N
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AE62203
ChemicalName:
Methyl 3-(4-cyano-3-fluorophenyl)-5-fluorobenzoate
CasNumber:
1393441-84-3
MolecularFormula:
C15H9F2NO2
MolecularWeight:
273.2343
MdlNumber:
MFCD22383719
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C#N
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1Cl)c1ccco1
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1Cl)c1ccco1
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AE62205
ChemicalName: Methyl 6-(3-chloro-4-fluorophenyl)pyridine-2-carboxylate
CasNumber: 1393442-53-9
MolecularFormula: C13H9ClFNO2
MolecularWeight: 265.6675
MdlNumber: MFCD22383724
Smiles: COC(=O)c1cccc(n1)c1ccc(c(c1)Cl)F
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE62205
ChemicalName:
Methyl 6-(3-chloro-4-fluorophenyl)pyridine-2-carboxylate
CasNumber:
1393442-53-9
MolecularFormula:
C13H9ClFNO2
MolecularWeight:
265.6675
MdlNumber:
MFCD22383724
Smiles:
COC(=O)c1cccc(n1)c1ccc(c(c1)Cl)F
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AE62206
ChemicalName: 4-(1-BOC-piperidin-4-yloxy)-3-methoxyphenylboronic acid, pinacol ester
CasNumber: 1246372-53-1
MolecularFormula: C23H36BNO6
MolecularWeight: 433.346
MdlNumber: MFCD16618965
Smiles: COc1cc(ccc1OC1CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity: 610
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AE62206
ChemicalName:
4-(1-BOC-piperidin-4-yloxy)-3-methoxyphenylboronic acid, pinacol ester
CasNumber:
1246372-53-1
MolecularFormula:
C23H36BNO6
MolecularWeight:
433.346
MdlNumber:
MFCD16618965
Smiles:
COc1cc(ccc1OC1CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity:
610
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
__