AF00724
166811-60-5 | 4-Chloro-3-(methylthio)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00724
ChemicalName
4-Chloro-3-(methylthio)benzoic acid
CasNumber
166811-60-5
MolecularFormula
C8H7ClO2S
MolecularWeight
202.658
MdlNumber
MFCD11501903
Smiles
CSc1cc(ccc1Cl)C(=O)O
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AF00724
ChemicalName: 4-Chloro-3-(methylthio)benzoic acid
CasNumber: 166811-60-5
MolecularFormula: C8H7ClO2S
MolecularWeight: 202.658
MdlNumber: MFCD11501903
Smiles: CSc1cc(ccc1Cl)C(=O)O
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AF00724
ChemicalName:
4-Chloro-3-(methylthio)benzoic acid
CasNumber:
166811-60-5
MolecularFormula:
C8H7ClO2S
MolecularWeight:
202.658
MdlNumber:
MFCD11501903
Smiles:
CSc1cc(ccc1Cl)C(=O)O
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AF00725
ChemicalName: 4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile
CasNumber: 186000-52-2
MolecularFormula: C14H10ClNO
MolecularWeight: 243.6883
MdlNumber: MFCD22205837
Smiles: N#Cc1ccc(cc1)C(c1cccc(c1)Cl)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AF00725
ChemicalName:
4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile
CasNumber:
186000-52-2
MolecularFormula:
C14H10ClNO
MolecularWeight:
243.6883
MdlNumber:
MFCD22205837
Smiles:
N#Cc1ccc(cc1)C(c1cccc(c1)Cl)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCN1CCC(CC1)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCN1CCC(CC1)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF00727
ChemicalName: 3-(4-Cyanophenyl)-5-methoxybenzonitrile
CasNumber: 1445322-49-5
MolecularFormula: C15H10N2O
MolecularWeight: 234.2527
MdlNumber: MFCD25121774
Smiles: N#Cc1ccc(cc1)c1cc(OC)cc(c1)C#N
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AF00727
ChemicalName:
3-(4-Cyanophenyl)-5-methoxybenzonitrile
CasNumber:
1445322-49-5
MolecularFormula:
C15H10N2O
MolecularWeight:
234.2527
MdlNumber:
MFCD25121774
Smiles:
N#Cc1ccc(cc1)c1cc(OC)cc(c1)C#N
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3