AF86959
42456-75-7 | 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AF86959
ChemicalName
1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
CasNumber
42456-75-7
MolecularFormula
C6H4ClNO3S
MolecularWeight
205.6189
MdlNumber
MFCD00084858
Smiles
[O-][N+](=O)c1cc(sc1Cl)C(=O)C
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AF86959
ChemicalName: 1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
CasNumber: 42456-75-7
MolecularFormula: C6H4ClNO3S
MolecularWeight: 205.6189
MdlNumber: MFCD00084858
Smiles: [O-][N+](=O)c1cc(sc1Cl)C(=O)C
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AF86959
ChemicalName:
1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
CasNumber:
42456-75-7
MolecularFormula:
C6H4ClNO3S
MolecularWeight:
205.6189
MdlNumber:
MFCD00084858
Smiles:
[O-][N+](=O)c1cc(sc1Cl)C(=O)C
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC(=C2C(=C1)CC(C(C2=O)Br)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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Smiles:
CC1=CC(=C2C(=C1)CC(C(C2=O)Br)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCC2(C1)CC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=C1OCC2(C1)CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: FC1(CCNCC1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC1(CCNCC1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__