AG69956
639784-60-4 | 3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG69956
ChemicalName
3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CasNumber
639784-60-4
MolecularFormula
C13H11F3N2O2
MolecularWeight
284.2338
MdlNumber
MFCD09749421
Smiles
CCOC(=O)c1cc([nH]n1)c1ccc(cc1)C(F)(F)F
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AG69956
ChemicalName: 3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CasNumber: 639784-60-4
MolecularFormula: C13H11F3N2O2
MolecularWeight: 284.2338
MdlNumber: MFCD09749421
Smiles: CCOC(=O)c1cc([nH]n1)c1ccc(cc1)C(F)(F)F
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AG69956
ChemicalName:
3-[4-(Trifluoromethyl)phenyl]-1h-pyrazole-5-carboxylic acid ethyl ester
CasNumber:
639784-60-4
MolecularFormula:
C13H11F3N2O2
MolecularWeight:
284.2338
MdlNumber:
MFCD09749421
Smiles:
CCOC(=O)c1cc([nH]n1)c1ccc(cc1)C(F)(F)F
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.3
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Smiles: CCCC(C#N)O
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CCCC(C#N)O
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Smiles: Ic1ccc(cc1)C(=O)c1ccccc1
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Ic1ccc(cc1)C(=O)c1ccccc1
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Smiles: COCc1cccc2c1cccc2
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Smiles:
COCc1cccc2c1cccc2
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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