AD33985
400-49-7 | 1,1,1,4,4,4-Hexafluoro-2-butanone
Manufacturer: A2B Chem
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CatalogNumber
AD33985
ChemicalName
1,1,1,4,4,4-Hexafluoro-2-butanone
CasNumber
400-49-7
MolecularFormula
C4H2F6O
MolecularWeight
180.0485
MdlNumber
MFCD08460488
Smiles
O=C(C(F)(F)F)CC(F)(F)F
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
7
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AD33985
ChemicalName: 1,1,1,4,4,4-Hexafluoro-2-butanone
CasNumber: 400-49-7
MolecularFormula: C4H2F6O
MolecularWeight: 180.0485
MdlNumber: MFCD08460488
Smiles: O=C(C(F)(F)F)CC(F)(F)F
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AD33985
ChemicalName:
1,1,1,4,4,4-Hexafluoro-2-butanone
CasNumber:
400-49-7
MolecularFormula:
C4H2F6O
MolecularWeight:
180.0485
MdlNumber:
MFCD08460488
Smiles:
O=C(C(F)(F)F)CC(F)(F)F
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AD33986
ChemicalName: 6-Hydroxyindole-2-carboxylic acid
CasNumber: 40047-23-2
MolecularFormula: C9H7NO3
MolecularWeight: 177.15678
MdlNumber: MFCD01549019
Smiles: Oc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AD33986
ChemicalName:
6-Hydroxyindole-2-carboxylic acid
CasNumber:
40047-23-2
MolecularFormula:
C9H7NO3
MolecularWeight:
177.15678
MdlNumber:
MFCD01549019
Smiles:
Oc1ccc2c(c1)[nH]c(c2)C(=O)O
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2
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Smiles: COc1ccsc1S(=O)(=O)Cl
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Smiles:
COc1ccsc1S(=O)(=O)Cl
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Smiles: NN1CCN(CC1)c1ccccc1C
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Smiles:
NN1CCN(CC1)c1ccccc1C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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