AA17474
1170613-55-4 | (1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
Manufacturer: A2B Chem
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CatalogNumber
AA17474
ChemicalName
(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
CasNumber
1170613-55-4
MolecularFormula
C12H14FNO
MolecularWeight
207.2441
MdlNumber
MFCD20488058
Smiles
CC/C(=N\O)/C(=C/c1ccc(cc1)F)/C
Complexity
252
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA17474
ChemicalName: (1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
CasNumber: 1170613-55-4
MolecularFormula: C12H14FNO
MolecularWeight: 207.2441
MdlNumber: MFCD20488058
Smiles: CC/C(=N\O)/C(=C/c1ccc(cc1)F)/C
Complexity: 252
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA17474
ChemicalName:
(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
CasNumber:
1170613-55-4
MolecularFormula:
C12H14FNO
MolecularWeight:
207.2441
MdlNumber:
MFCD20488058
Smiles:
CC/C(=N\O)/C(=C/c1ccc(cc1)F)/C
Complexity:
252
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
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Smiles: CCc1ccc2c(c1)c(NN)ccn2.Cl
Complexity: __
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HeavyAtomCount: __
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Smiles:
CCc1ccc2c(c1)c(NN)ccn2.Cl
Complexity:
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HeavyAtomCount:
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Smiles: OC(=O)C1CCN(CC1)Cc1c[nH]c2c1cc(Cl)cc2
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Smiles:
OC(=O)C1CCN(CC1)Cc1c[nH]c2c1cc(Cl)cc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCc1cc2ccc(cc2nc1N)Br.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1cc2ccc(cc2nc1N)Br.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__