AE62502
1261786-21-3 | 6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AE62503
ChemicalName: 3-Cyano-5-(4-cyanophenyl)phenol
CasNumber: 1261949-21-6
MolecularFormula: C14H8N2O
MolecularWeight: 220.2261
MdlNumber: MFCD18314170
Smiles: N#Cc1ccc(cc1)c1cc(O)cc(c1)C#N
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AE62503
ChemicalName:
3-Cyano-5-(4-cyanophenyl)phenol
CasNumber:
1261949-21-6
MolecularFormula:
C14H8N2O
MolecularWeight:
220.2261
MdlNumber:
MFCD18314170
Smiles:
N#Cc1ccc(cc1)c1cc(O)cc(c1)C#N
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AE62504
ChemicalName: 3-(4-Cyano-3-fluorophenyl)benzoic acid
CasNumber: 1393441-83-2
MolecularFormula: C14H8FNO2
MolecularWeight: 241.2172
MdlNumber: MFCD22383718
Smiles: N#Cc1ccc(cc1F)c1cccc(c1)C(=O)O
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AE62504
ChemicalName:
3-(4-Cyano-3-fluorophenyl)benzoic acid
CasNumber:
1393441-83-2
MolecularFormula:
C14H8FNO2
MolecularWeight:
241.2172
MdlNumber:
MFCD22383718
Smiles:
N#Cc1ccc(cc1F)c1cccc(c1)C(=O)O
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: N#Cc1c(F)cccc1c1cccc(c1C#N)F
Complexity: __
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MdlNumber:
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Smiles:
N#Cc1c(F)cccc1c1cccc(c1C#N)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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