AA29186
124728-81-0 | (Trans,trans)-4-(4-ethoxy-2,3-difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)
Manufacturer: A2B Chem
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CatalogNumber
AA29186
ChemicalName
(Trans,trans)-4-(4-ethoxy-2,3-difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)
CasNumber
124728-81-0
MolecularFormula
C25H38F2O
MolecularWeight
392.5654
MdlNumber
MFCD11053404
Smiles
CCCCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(c(c1F)F)OCC
Complexity
426
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
3
RotatableBondCount
8
Xlogp3
9.9
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CatalogNumber: AA29186
ChemicalName: (Trans,trans)-4-(4-ethoxy-2,3-difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)
CasNumber: 124728-81-0
MolecularFormula: C25H38F2O
MolecularWeight: 392.5654
MdlNumber: MFCD11053404
Smiles: CCCCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(c(c1F)F)OCC
Complexity: 426
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 3
RotatableBondCount: 8
Xlogp3: 9.9
CatalogNumber:
AA29186
ChemicalName:
(Trans,trans)-4-(4-ethoxy-2,3-difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)
CasNumber:
124728-81-0
MolecularFormula:
C25H38F2O
MolecularWeight:
392.5654
MdlNumber:
MFCD11053404
Smiles:
CCCCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(c(c1F)F)OCC
Complexity:
426
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
3
RotatableBondCount:
8
Xlogp3:
9.9
CatalogNumber: __
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Smiles: CCOc1ccc(c(c1F)F)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CasNumber:
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Smiles:
CCOc1ccc(c(c1F)F)C(=O)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CCNC(=O)c1cccn1C
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCNC(=O)c1cccn1C
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC[C@@H]1OC(OC1=O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCC[C@@H]1OC(OC1=O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__