AI32106
1355249-29-4 | Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI32106
ChemicalName
Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate
CasNumber
1355249-29-4
MolecularFormula
C14H15IN2O3
MolecularWeight
386.185
MdlNumber
MFCD30180245
Smiles
CCOC(=O)c1nn(cc1I)Cc1ccc(cc1)OC
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
3
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CatalogNumber: AI32106
ChemicalName: Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate
CasNumber: 1355249-29-4
MolecularFormula: C14H15IN2O3
MolecularWeight: 386.185
MdlNumber: MFCD30180245
Smiles: CCOC(=O)c1nn(cc1I)Cc1ccc(cc1)OC
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AI32106
ChemicalName:
Ethyl 4-iodo-1-(4-methoxybenzyl)-1h-pyrazole-3-carboxylate
CasNumber:
1355249-29-4
MolecularFormula:
C14H15IN2O3
MolecularWeight:
386.185
MdlNumber:
MFCD30180245
Smiles:
CCOC(=O)c1nn(cc1I)Cc1ccc(cc1)OC
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
3
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Smiles: C1=CC(=CC=C1N)S(=O)(=O)[O-].O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC(=CC=C1N)S(=O)(=O)[O-].O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Fc1ccc(cc1)Cn1nnc(c1)C(=O)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
Fc1ccc(cc1)Cn1nnc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: COC(=O)c1cc(F)c(cc1F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(F)c(cc1F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__