AI54648
6645-81-4 | 3-(4-Iodo-3,5-dimethyl-1h-pyrazol-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI54648
ChemicalName
3-(4-Iodo-3,5-dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber
6645-81-4
MolecularFormula
C8H11IN2O2
MolecularWeight
294.0896
MdlNumber
MFCD09878862
Smiles
OC(=O)CCn1nc(c(c1C)I)C
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AI54648
ChemicalName: 3-(4-Iodo-3,5-dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber: 6645-81-4
MolecularFormula: C8H11IN2O2
MolecularWeight: 294.0896
MdlNumber: MFCD09878862
Smiles: OC(=O)CCn1nc(c(c1C)I)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI54648
ChemicalName:
3-(4-Iodo-3,5-dimethyl-1h-pyrazol-1-yl)propanoic acid
CasNumber:
6645-81-4
MolecularFormula:
C8H11IN2O2
MolecularWeight:
294.0896
MdlNumber:
MFCD09878862
Smiles:
OC(=O)CCn1nc(c(c1C)I)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
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MolecularFormula: __
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Smiles: OC(=O)c1sc2c(c1C)c(Cl)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)c1sc2c(c1C)c(Cl)ccc2
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc2c(c1)sc(c2C)C(=O)O
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Smiles:
Clc1ccc2c(c1)sc(c2C)C(=O)O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)C1CCC(CC1)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCC(CC1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__