AA49797
1369490-06-1 | 3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA49797
ChemicalName
3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
CasNumber
1369490-06-1
MolecularFormula
C13H9F5N2O3
MolecularWeight
336.2142
MdlNumber
MFCD30185166
Smiles
Cn1nc(c(c1Oc1cccc(c1)C(F)(F)F)C(=O)O)C(F)F
Complexity
434
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AA49797
ChemicalName: 3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
CasNumber: 1369490-06-1
MolecularFormula: C13H9F5N2O3
MolecularWeight: 336.2142
MdlNumber: MFCD30185166
Smiles: Cn1nc(c(c1Oc1cccc(c1)C(F)(F)F)C(=O)O)C(F)F
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AA49797
ChemicalName:
3-(Difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carboxylic acid
CasNumber:
1369490-06-1
MolecularFormula:
C13H9F5N2O3
MolecularWeight:
336.2142
MdlNumber:
MFCD30185166
Smiles:
Cn1nc(c(c1Oc1cccc(c1)C(F)(F)F)C(=O)O)C(F)F
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
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Smiles: NCc1nc2n(n1)cccc2
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Smiles:
NCc1nc2n(n1)cccc2
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Smiles: NCc1ccc2c(c1C)cc[nH]2
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NCc1ccc2c(c1C)cc[nH]2
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Smiles: C1CCC(CN1)c1cnccn1
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Smiles:
C1CCC(CN1)c1cnccn1
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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