AA34339
543739-84-0 | 5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA34339
ChemicalName
5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber
543739-84-0
MolecularFormula
C5H3F3N2O2
MolecularWeight
180.0847
MdlNumber
MFCD00661951
Smiles
OC(=O)c1c[nH]nc1C(F)(F)F
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AA34339
ChemicalName: 5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber: 543739-84-0
MolecularFormula: C5H3F3N2O2
MolecularWeight: 180.0847
MdlNumber: MFCD00661951
Smiles: OC(=O)c1c[nH]nc1C(F)(F)F
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AA34339
ChemicalName:
5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CasNumber:
543739-84-0
MolecularFormula:
C5H3F3N2O2
MolecularWeight:
180.0847
MdlNumber:
MFCD00661951
Smiles:
OC(=O)c1c[nH]nc1C(F)(F)F
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCCOCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCCOCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA34341
ChemicalName: 1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
CasNumber: 125996-99-8
MolecularFormula: C12H11F3O
MolecularWeight: 228.2103
MdlNumber: MFCD20290692
Smiles: C=CCCC(=O)c1cccc(c1)C(F)(F)F
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AA34341
ChemicalName:
1-[3-(Trifluoromethyl)phenyl]pent-4-en-1-one
CasNumber:
125996-99-8
MolecularFormula:
C12H11F3O
MolecularWeight:
228.2103
MdlNumber:
MFCD20290692
Smiles:
C=CCCC(=O)c1cccc(c1)C(F)(F)F
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)C(F)(F)F)Cc1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)C(F)(F)F)Cc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__