AA02462
1004643-64-4 | 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA02462
ChemicalName
1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CasNumber
1004643-64-4
MolecularFormula
C6H6F2N2O2
MolecularWeight
176.1208
MdlNumber
MFCD04970128
Smiles
OC(=O)c1nn(c(c1)C)C(F)F
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AA02462
ChemicalName: 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CasNumber: 1004643-64-4
MolecularFormula: C6H6F2N2O2
MolecularWeight: 176.1208
MdlNumber: MFCD04970128
Smiles: OC(=O)c1nn(c(c1)C)C(F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AA02462
ChemicalName:
1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CasNumber:
1004643-64-4
MolecularFormula:
C6H6F2N2O2
MolecularWeight:
176.1208
MdlNumber:
MFCD04970128
Smiles:
OC(=O)c1nn(c(c1)C)C(F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)N[C@@H]1CCN(C1)c1ccc(cn1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(OC(C)(C)C)N[C@@H]1CCN(C1)c1ccc(cn1)N
Complexity:
__
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HeavyAtomCount:
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Smiles: C=CCOc1ccc(cc1)c1nc2c(o1)cccc2
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Smiles:
C=CCOc1ccc(cc1)c1nc2c(o1)cccc2
Complexity:
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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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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCC(C(=O)c1ccc(o1)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCC(C(=O)c1ccc(o1)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__