AE61986
1355248-24-6 | 2-Chloro-4-[4-(methylsulfanyl)phenyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE61986
ChemicalName
2-Chloro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber
1355248-24-6
MolecularFormula
C14H10ClNS
MolecularWeight
259.7539
MdlNumber
MFCD21333028
Smiles
CSc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
4.4
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CatalogNumber: AE61986
ChemicalName: 2-Chloro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber: 1355248-24-6
MolecularFormula: C14H10ClNS
MolecularWeight: 259.7539
MdlNumber: MFCD21333028
Smiles: CSc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AE61986
ChemicalName:
2-Chloro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber:
1355248-24-6
MolecularFormula:
C14H10ClNS
MolecularWeight:
259.7539
MdlNumber:
MFCD21333028
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)Cl)C#N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1F)c1ccccc1N
Complexity: 224
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1F)c1ccccc1N
Complexity:
224
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1OC)C(=O)C=CN(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)C(=O)C=CN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@@H]1CCN(C[C@@H]1F)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@@H]1CCN(C[C@@H]1F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__