AG73100
618070-63-6 | 1-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG73100
ChemicalName
1-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber
618070-63-6
MolecularFormula
C11H6BrF3N2O2
MolecularWeight
335.0767
MdlNumber
MFCD03934808
Smiles
Brc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Complexity
345
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AG73100
ChemicalName: 1-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber: 618070-63-6
MolecularFormula: C11H6BrF3N2O2
MolecularWeight: 335.0767
MdlNumber: MFCD03934808
Smiles: Brc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AG73100
ChemicalName:
1-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber:
618070-63-6
MolecularFormula:
C11H6BrF3N2O2
MolecularWeight:
335.0767
MdlNumber:
MFCD03934808
Smiles:
Brc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1c1ccco1
Complexity: __
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Smiles:
CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1c1ccco1
Complexity:
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Smiles: CCOC(=O)C1=C(N=C(C(=C1)C(=S)N)C)C(F)(F)F
Complexity: __
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Smiles:
CCOC(=O)C1=C(N=C(C(=C1)C(=S)N)C)C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COC1COCCN1C=O
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC1COCCN1C=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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