AA94728
17587-22-3 | 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
Manufacturer: A2B Chem
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CatalogNumber
AA94728
ChemicalName
2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
CasNumber
17587-22-3
MolecularFormula
C10H11F7O2
MolecularWeight
296.182
MdlNumber
MFCD00000435
Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C)(C)C
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
9
RotatableBondCount
5
Xlogp3
3.7
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CatalogNumber: AA94728
ChemicalName: 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
CasNumber: 17587-22-3
MolecularFormula: C10H11F7O2
MolecularWeight: 296.182
MdlNumber: MFCD00000435
Smiles: O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C)(C)C
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 9
RotatableBondCount: 5
Xlogp3: 3.7
CatalogNumber:
AA94728
ChemicalName:
2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
CasNumber:
17587-22-3
MolecularFormula:
C10H11F7O2
MolecularWeight:
296.182
MdlNumber:
MFCD00000435
Smiles:
O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C)(C)C
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
9
RotatableBondCount:
5
Xlogp3:
3.7
CatalogNumber: AA94730
ChemicalName: 2-(2H-Tetrazol-5-yl)-ethanol
CasNumber: 17587-08-5
MolecularFormula: C3H6N4O
MolecularWeight: 114.1059
MdlNumber: MFCD03856019
Smiles: OCCc1n[nH]nn1
Complexity: 68.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: -0.9
CatalogNumber:
AA94730
ChemicalName:
2-(2H-Tetrazol-5-yl)-ethanol
CasNumber:
17587-08-5
MolecularFormula:
C3H6N4O
MolecularWeight:
114.1059
MdlNumber:
MFCD03856019
Smiles:
OCCc1n[nH]nn1
Complexity:
68.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
-0.9
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Smiles: CCCCCCCC[Sn](OC(=O)C)(OC(=O)C)CCCCCCCC
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CCCCCCCC[Sn](OC(=O)C)(OC(=O)C)CCCCCCCC
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Smiles: [O-][N+](=O)c1cc(ccc1c1nc2c(s1)cccc2)[N+](=O)[O-]
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Smiles:
[O-][N+](=O)c1cc(ccc1c1nc2c(s1)cccc2)[N+](=O)[O-]
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