AB02500
179732-64-0 | 5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB02500
ChemicalName
5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CasNumber
179732-64-0
MolecularFormula
C6H5F3N2O2
MolecularWeight
194.11130959999997
MdlNumber
MFCD12827694
Smiles
O=Cc1c(O)n(nc1C(F)(F)F)C
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB02500
ChemicalName: 5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CasNumber: 179732-64-0
MolecularFormula: C6H5F3N2O2
MolecularWeight: 194.11130959999997
MdlNumber: MFCD12827694
Smiles: O=Cc1c(O)n(nc1C(F)(F)F)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB02500
ChemicalName:
5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CasNumber:
179732-64-0
MolecularFormula:
C6H5F3N2O2
MolecularWeight:
194.11130959999997
MdlNumber:
MFCD12827694
Smiles:
O=Cc1c(O)n(nc1C(F)(F)F)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
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Smiles: OCCOCC=O
Complexity: __
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Smiles:
OCCOCC=O
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Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C(=O)O)C)C)C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C(=O)O)C)C)C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1nc(Cl)nc2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1nc(Cl)nc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__