AC82564
709654-29-5 | Ethyl 1-(3-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC82564
ChemicalName
Ethyl 1-(3-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber
709654-29-5
MolecularFormula
C13H13ClN2O2
MolecularWeight
264.7075
MdlNumber
MFCD23115276
Smiles
CCOC(=O)c1cc(nn1c1cccc(c1)Cl)C
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AC82564
ChemicalName: Ethyl 1-(3-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber: 709654-29-5
MolecularFormula: C13H13ClN2O2
MolecularWeight: 264.7075
MdlNumber: MFCD23115276
Smiles: CCOC(=O)c1cc(nn1c1cccc(c1)Cl)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AC82564
ChemicalName:
Ethyl 1-(3-chlorophenyl)-3-methyl-1H-pyrazole-5-carboxylate
CasNumber:
709654-29-5
MolecularFormula:
C13H13ClN2O2
MolecularWeight:
264.7075
MdlNumber:
MFCD23115276
Smiles:
CCOC(=O)c1cc(nn1c1cccc(c1)Cl)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.5
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Smiles: c1ccc(cc1)c1cc([o+]c(c1)c1ccccc1)c1ccccc1.FC(S(=O)(=O)[O-])(F)F
Complexity: __
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Smiles:
c1ccc(cc1)c1cc([o+]c(c1)c1ccccc1)c1ccccc1.FC(S(=O)(=O)[O-])(F)F
Complexity:
__
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Smiles: CCN([C@H](C(=O)O)Cc1ccccc1)C(=O)OC(C)(C)C
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Smiles:
CCN([C@H](C(=O)O)Cc1ccccc1)C(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: Cn1ncc(c1Br)Br
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MolecularFormula:
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Smiles:
Cn1ncc(c1Br)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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