AF00659
166811-70-7 | Methyl 4-chloro-3-(methylsulfanyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF00659
ChemicalName
Methyl 4-chloro-3-(methylsulfanyl)benzoate
CasNumber
166811-70-7
MolecularFormula
C9H9ClO2S
MolecularWeight
216.6846
MdlNumber
MFCD22489119
Smiles
COC(=O)c1ccc(c(c1)SC)Cl
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AF00659
ChemicalName: Methyl 4-chloro-3-(methylsulfanyl)benzoate
CasNumber: 166811-70-7
MolecularFormula: C9H9ClO2S
MolecularWeight: 216.6846
MdlNumber: MFCD22489119
Smiles: COC(=O)c1ccc(c(c1)SC)Cl
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AF00659
ChemicalName:
Methyl 4-chloro-3-(methylsulfanyl)benzoate
CasNumber:
166811-70-7
MolecularFormula:
C9H9ClO2S
MolecularWeight:
216.6846
MdlNumber:
MFCD22489119
Smiles:
COC(=O)c1ccc(c(c1)SC)Cl
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: AF00660
ChemicalName: Methyl 4-(2,5-dimethoxyphenyl)benzoate
CasNumber: 1437794-61-0
MolecularFormula: C16H16O4
MolecularWeight: 272.2958
MdlNumber: MFCD24448855
Smiles: COc1ccc(c(c1)c1ccc(cc1)C(=O)OC)OC
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AF00660
ChemicalName:
Methyl 4-(2,5-dimethoxyphenyl)benzoate
CasNumber:
1437794-61-0
MolecularFormula:
C16H16O4
MolecularWeight:
272.2958
MdlNumber:
MFCD24448855
Smiles:
COc1ccc(c(c1)c1ccc(cc1)C(=O)OC)OC
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
3.3
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CatalogNumber: AF00661
ChemicalName: 3-(4-Methoxyphenyl)benzonitrile
CasNumber: 154197-00-9
MolecularFormula: C14H11NO
MolecularWeight: 209.2432
MdlNumber: MFCD05980777
Smiles: COc1ccc(cc1)c1cccc(c1)C#N
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AF00661
ChemicalName:
3-(4-Methoxyphenyl)benzonitrile
CasNumber:
154197-00-9
MolecularFormula:
C14H11NO
MolecularWeight:
209.2432
MdlNumber:
MFCD05980777
Smiles:
COc1ccc(cc1)c1cccc(c1)C#N
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.2