AA44287
128694-66-6 | 2-Ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA44287
ChemicalName
2-Ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CasNumber
128694-66-6
MolecularFormula
C7H7F3N2O2
MolecularWeight
208.1379
MdlNumber
MFCD04970205
Smiles
CCn1nc(cc1C(=O)O)C(F)(F)F
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AA44287
ChemicalName: 2-Ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CasNumber: 128694-66-6
MolecularFormula: C7H7F3N2O2
MolecularWeight: 208.1379
MdlNumber: MFCD04970205
Smiles: CCn1nc(cc1C(=O)O)C(F)(F)F
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AA44287
ChemicalName:
2-Ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CasNumber:
128694-66-6
MolecularFormula:
C7H7F3N2O2
MolecularWeight:
208.1379
MdlNumber:
MFCD04970205
Smiles:
CCn1nc(cc1C(=O)O)C(F)(F)F
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1nc(cc1C)C(F)(F)F
Complexity: 157
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1nc(cc1C)C(F)(F)F
Complexity:
157
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AA44289
ChemicalName: 1-Methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid
CasNumber: 128694-63-3
MolecularFormula: C6H5F3N2O2
MolecularWeight: 194.1113
MdlNumber: MFCD02090853
Smiles: OC(=O)c1cc(nn1C)C(F)(F)F
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AA44289
ChemicalName:
1-Methyl-3-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid
CasNumber:
128694-63-3
MolecularFormula:
C6H5F3N2O2
MolecularWeight:
194.1113
MdlNumber:
MFCD02090853
Smiles:
OC(=O)c1cc(nn1C)C(F)(F)F
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__