AB15628
188817-13-2 | 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB15628
ChemicalName
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CasNumber
188817-13-2
MolecularFormula
C17H12ClF3N2O
MolecularWeight
352.7382
MdlNumber
MFCD02179214
Smiles
COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F
Complexity
407
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
5.1
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CatalogNumber: AB15628
ChemicalName: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CasNumber: 188817-13-2
MolecularFormula: C17H12ClF3N2O
MolecularWeight: 352.7382
MdlNumber: MFCD02179214
Smiles: COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F
Complexity: 407
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 5.1
CatalogNumber:
AB15628
ChemicalName:
5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CasNumber:
188817-13-2
MolecularFormula:
C17H12ClF3N2O
MolecularWeight:
352.7382
MdlNumber:
MFCD02179214
Smiles:
COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F
Complexity:
407
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
5.1
CatalogNumber: AB15629
ChemicalName: 3-Bromo-5-iodobenzoic acid
CasNumber: 188815-32-9
MolecularFormula: C7H4BrIO2
MolecularWeight: 326.91393000000005
MdlNumber: MFCD00191851
Smiles: Brc1cc(I)cc(c1)C(=O)O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB15629
ChemicalName:
3-Bromo-5-iodobenzoic acid
CasNumber:
188815-32-9
MolecularFormula:
C7H4BrIO2
MolecularWeight:
326.91393000000005
MdlNumber:
MFCD00191851
Smiles:
Brc1cc(I)cc(c1)C(=O)O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: AB15630
ChemicalName: 3-Fluoro-5-(trifluoromethyl)benzaldehyde
CasNumber: 188815-30-7
MolecularFormula: C8H4F4O
MolecularWeight: 192.1104
MdlNumber: MFCD00061312
Smiles: O=Cc1cc(F)cc(c1)C(F)(F)F
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB15630
ChemicalName:
3-Fluoro-5-(trifluoromethyl)benzaldehyde
CasNumber:
188815-30-7
MolecularFormula:
C8H4F4O
MolecularWeight:
192.1104
MdlNumber:
MFCD00061312
Smiles:
O=Cc1cc(F)cc(c1)C(F)(F)F
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.4
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Smiles: OC(=O)CC(c1cc(Cl)cc(c1O)Cl)N
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Smiles:
OC(=O)CC(c1cc(Cl)cc(c1O)Cl)N
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HydrogenBondAcceptorCount:
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