AE62499
1261928-17-9 | 5-Chloro-3-(thiophen-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62499
ChemicalName
5-Chloro-3-(thiophen-2-yl)benzoic acid
CasNumber
1261928-17-9
MolecularFormula
C11H7ClO2S
MolecularWeight
238.6901
MdlNumber
MFCD18318866
Smiles
Clc1cc(cc(c1)c1cccs1)C(=O)O
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AE62499
ChemicalName: 5-Chloro-3-(thiophen-2-yl)benzoic acid
CasNumber: 1261928-17-9
MolecularFormula: C11H7ClO2S
MolecularWeight: 238.6901
MdlNumber: MFCD18318866
Smiles: Clc1cc(cc(c1)c1cccs1)C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AE62499
ChemicalName:
5-Chloro-3-(thiophen-2-yl)benzoic acid
CasNumber:
1261928-17-9
MolecularFormula:
C11H7ClO2S
MolecularWeight:
238.6901
MdlNumber:
MFCD18318866
Smiles:
Clc1cc(cc(c1)c1cccs1)C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(cc(c1)c1cscc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(cc(c1)c1cscc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62501
ChemicalName: 3-Amino-4-(butylamino)benzonitrile
CasNumber: 143173-92-6
MolecularFormula: C11H15N3
MolecularWeight: 189.2569
MdlNumber: MFCD12189572
Smiles: CCCCNc1ccc(cc1N)C#N
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AE62501
ChemicalName:
3-Amino-4-(butylamino)benzonitrile
CasNumber:
143173-92-6
MolecularFormula:
C11H15N3
MolecularWeight:
189.2569
MdlNumber:
MFCD12189572
Smiles:
CCCCNc1ccc(cc1N)C#N
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AE62502
ChemicalName: 6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid
CasNumber: 1261786-21-3
MolecularFormula: C14H8ClF3O2
MolecularWeight: 300.6603
MdlNumber: MFCD18321746
Smiles: OC(=O)c1c(Cl)cccc1c1ccccc1C(F)(F)F
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.6
CatalogNumber:
AE62502
ChemicalName:
6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid
CasNumber:
1261786-21-3
MolecularFormula:
C14H8ClF3O2
MolecularWeight:
300.6603
MdlNumber:
MFCD18321746
Smiles:
OC(=O)c1c(Cl)cccc1c1ccccc1C(F)(F)F
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.6