AA38272
129768-28-1 | 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA38272
ChemicalName
5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CasNumber
129768-28-1
MolecularFormula
C5H3F3N2O2
MolecularWeight
180.0847
MdlNumber
MFCD03094951
Smiles
OC(=O)c1n[nH]c(c1)C(F)(F)F
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AA38272
ChemicalName: 5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CasNumber: 129768-28-1
MolecularFormula: C5H3F3N2O2
MolecularWeight: 180.0847
MdlNumber: MFCD03094951
Smiles: OC(=O)c1n[nH]c(c1)C(F)(F)F
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AA38272
ChemicalName:
5-(Trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CasNumber:
129768-28-1
MolecularFormula:
C5H3F3N2O2
MolecularWeight:
180.0847
MdlNumber:
MFCD03094951
Smiles:
OC(=O)c1n[nH]c(c1)C(F)(F)F
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: ClC(=O)c1cc(nn1C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
ClC(=O)c1cc(nn1C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOc1ccc(cc1)C(c1cc(Br)ccc1Cl)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1)C(c1cc(Br)ccc1Cl)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__