AE33804
142044-91-5 | 1-(3-Chloro-4-methylphenyl)-1H-pyrrole-2-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AE33804
ChemicalName
1-(3-Chloro-4-methylphenyl)-1H-pyrrole-2-carbaldehyde
CasNumber
142044-91-5
MolecularFormula
C12H10ClNO
MolecularWeight
219.6669
MdlNumber
MFCD02664874
Smiles
O=Cc1cccn1c1ccc(c(c1)Cl)C
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AE33804
ChemicalName: 1-(3-Chloro-4-methylphenyl)-1H-pyrrole-2-carbaldehyde
CasNumber: 142044-91-5
MolecularFormula: C12H10ClNO
MolecularWeight: 219.6669
MdlNumber: MFCD02664874
Smiles: O=Cc1cccn1c1ccc(c(c1)Cl)C
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AE33804
ChemicalName:
1-(3-Chloro-4-methylphenyl)-1H-pyrrole-2-carbaldehyde
CasNumber:
142044-91-5
MolecularFormula:
C12H10ClNO
MolecularWeight:
219.6669
MdlNumber:
MFCD02664874
Smiles:
O=Cc1cccn1c1ccc(c(c1)Cl)C
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: COc1ccc(cc1)[C@H]1CCCCN1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
COc1ccc(cc1)[C@H]1CCCCN1
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Smiles: Cl[C@H]1CS(=O)(=O)C[C@@H]1Sc1ccc(cc1)Cl
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Smiles:
Cl[C@H]1CS(=O)(=O)C[C@@H]1Sc1ccc(cc1)Cl
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__
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Smiles: COC(=O)c1c(O)ccc(c1O)Cl
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CasNumber:
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MolecularFormula:
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Smiles:
COC(=O)c1c(O)ccc(c1O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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