AA23322
119083-00-0 | 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA23322
ChemicalName
1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CasNumber
119083-00-0
MolecularFormula
C6H5F3N2O2
MolecularWeight
194.1113
MdlNumber
MFCD04110182
Smiles
OC(=O)c1cnn(c1C(F)(F)F)C
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AA23322
ChemicalName: 1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CasNumber: 119083-00-0
MolecularFormula: C6H5F3N2O2
MolecularWeight: 194.1113
MdlNumber: MFCD04110182
Smiles: OC(=O)c1cnn(c1C(F)(F)F)C
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AA23322
ChemicalName:
1-Methyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CasNumber:
119083-00-0
MolecularFormula:
C6H5F3N2O2
MolecularWeight:
194.1113
MdlNumber:
MFCD04110182
Smiles:
OC(=O)c1cnn(c1C(F)(F)F)C
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1ccc(s1)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1ccc(s1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(s1)c1ccccn1
Complexity: 222
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(s1)c1ccccn1
Complexity:
222
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1csc(c1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1csc(c1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__