AI62963
942853-22-7 | 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI62963
ChemicalName
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
CasNumber
942853-22-7
MolecularFormula
C6H5F3N2O2
MolecularWeight
194.1113
MdlNumber
MFCD08556202
Smiles
OC(=O)c1ccn(n1)CC(F)(F)F
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AI62963
ChemicalName: 1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
CasNumber: 942853-22-7
MolecularFormula: C6H5F3N2O2
MolecularWeight: 194.1113
MdlNumber: MFCD08556202
Smiles: OC(=O)c1ccn(n1)CC(F)(F)F
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI62963
ChemicalName:
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-3-carboxylic acid
CasNumber:
942853-22-7
MolecularFormula:
C6H5F3N2O2
MolecularWeight:
194.1113
MdlNumber:
MFCD08556202
Smiles:
OC(=O)c1ccn(n1)CC(F)(F)F
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: COC(=O)c1c[nH]c2c(c1=O)cc(cc2)C
Complexity: __
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Smiles:
COC(=O)c1c[nH]c2c(c1=O)cc(cc2)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-]C(=O)c1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)C(=O)[O-])C4=[N]5[Pd+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[H+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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Smiles:
[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)C(=O)[O-])C4=[N]5[Pd+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[H+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)c1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)C(=O)[O-])C4=[N]5[Pt+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[H+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)c1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)C(=O)[O-])C4=[N]5[Pt+2]6([N-]23)[N]2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-].[H+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__