AG09488
35999-53-2 | 4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione
Manufacturer: A2B Chem
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CatalogNumber
AG09488
ChemicalName
4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione
CasNumber
35999-53-2
MolecularFormula
C10H6F3NO4
MolecularWeight
261.1541
MdlNumber
MFCD00440667
Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])CC(=O)C(F)(F)F
Complexity
353
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AG09488
ChemicalName: 4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione
CasNumber: 35999-53-2
MolecularFormula: C10H6F3NO4
MolecularWeight: 261.1541
MdlNumber: MFCD00440667
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CC(=O)C(F)(F)F
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AG09488
ChemicalName:
4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione
CasNumber:
35999-53-2
MolecularFormula:
C10H6F3NO4
MolecularWeight:
261.1541
MdlNumber:
MFCD00440667
Smiles:
O=C(c1ccc(cc1)[N+](=O)[O-])CC(=O)C(F)(F)F
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: C1CC2CC1C3C2C4CC3C=C4
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1CC2CC1C3C2C4CC3C=C4
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
Complexity: __
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Smiles:
CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: COc1cccc(c1)n1cnnc1S
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:
COc1cccc(c1)n1cnnc1S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__