AE32220
1187055-95-3 | 5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone
Manufacturer: A2B Chem
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CatalogNumber
AE32220
ChemicalName
5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone
CasNumber
1187055-95-3
MolecularFormula
C12H12N2O3
MolecularWeight
232.2353
MdlNumber
MFCD29917034
Smiles
CC1CC(=O)C=C(C1)c1ccncc1[N+](=O)[O-]
Complexity
359
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AE32220
ChemicalName: 5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone
CasNumber: 1187055-95-3
MolecularFormula: C12H12N2O3
MolecularWeight: 232.2353
MdlNumber: MFCD29917034
Smiles: CC1CC(=O)C=C(C1)c1ccncc1[N+](=O)[O-]
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AE32220
ChemicalName:
5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone
CasNumber:
1187055-95-3
MolecularFormula:
C12H12N2O3
MolecularWeight:
232.2353
MdlNumber:
MFCD29917034
Smiles:
CC1CC(=O)C=C(C1)c1ccncc1[N+](=O)[O-]
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
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Smiles: CCOC(=O)c1csc(n1)c1c(F)cccc1F
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Smiles:
CCOC(=O)c1csc(n1)c1c(F)cccc1F
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Smiles: COc1cccc(n1)c1ccc(cc1)C#N
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COc1cccc(n1)c1ccc(cc1)C#N
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Smiles: NS(=O)(=O)Cc1cncnc1
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NS(=O)(=O)Cc1cncnc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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