AA57039
1381944-29-1 | 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA57039
ChemicalName
2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber
1381944-29-1
MolecularFormula
C14H10FNS
MolecularWeight
243.2993
MdlNumber
MFCD22375070
Smiles
CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AA57039
ChemicalName: 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber: 1381944-29-1
MolecularFormula: C14H10FNS
MolecularWeight: 243.2993
MdlNumber: MFCD22375070
Smiles: CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA57039
ChemicalName:
2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber:
1381944-29-1
MolecularFormula:
C14H10FNS
MolecularWeight:
243.2993
MdlNumber:
MFCD22375070
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1cccc(c1F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1cccc(c1F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(Br)cccc1N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 403
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(Br)cccc1N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
403
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AA57042
ChemicalName: 2-[3-(Benzyloxy)phenyl]-6-methoxypyridine
CasNumber: 1381944-26-8
MolecularFormula: C19H17NO2
MolecularWeight: 291.3438
MdlNumber: MFCD22375059
Smiles: COc1cccc(n1)c1cccc(c1)OCc1ccccc1
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 4.3
CatalogNumber:
AA57042
ChemicalName:
2-[3-(Benzyloxy)phenyl]-6-methoxypyridine
CasNumber:
1381944-26-8
MolecularFormula:
C19H17NO2
MolecularWeight:
291.3438
MdlNumber:
MFCD22375059
Smiles:
COc1cccc(n1)c1cccc(c1)OCc1ccccc1
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
4.3