AB39440
303186-19-8 | 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl
Manufacturer: A2B Chem
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CatalogNumber
AB39440
ChemicalName
4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl
CasNumber
303186-19-8
MolecularFormula
C21H13F7O
MolecularWeight
414.3161
MdlNumber
MFCD22376741
Smiles
CCc1ccc(cc1)c1cc(F)c(c(c1)F)C(Oc1cc(F)c(c(c1)F)F)(F)F
Complexity
501
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
8
RotatableBondCount
5
Xlogp3
7.1
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CatalogNumber: AB39440
ChemicalName: 4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl
CasNumber: 303186-19-8
MolecularFormula: C21H13F7O
MolecularWeight: 414.3161
MdlNumber: MFCD22376741
Smiles: CCc1ccc(cc1)c1cc(F)c(c(c1)F)C(Oc1cc(F)c(c(c1)F)F)(F)F
Complexity: 501
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 8
RotatableBondCount: 5
Xlogp3: 7.1
CatalogNumber:
AB39440
ChemicalName:
4-[Difluoro(3,4,5-trifluorophenoxy)methyl]-4'-ethyl-3,5-difluorobiphenyl
CasNumber:
303186-19-8
MolecularFormula:
C21H13F7O
MolecularWeight:
414.3161
MdlNumber:
MFCD22376741
Smiles:
CCc1ccc(cc1)c1cc(F)c(c(c1)F)C(Oc1cc(F)c(c(c1)F)F)(F)F
Complexity:
501
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
8
RotatableBondCount:
5
Xlogp3:
7.1
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Smiles: CCC1(OC(=O)C=C)C2CC3CC1CC(C2)C3
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Smiles:
CCC1(OC(=O)C=C)C2CC3CC1CC(C2)C3
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Smiles: OC(=O)c1[nH]nc(c1)C(=O)O.O
Complexity: 193
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Smiles:
OC(=O)c1[nH]nc(c1)C(=O)O.O
Complexity:
193
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(C(C)(C)C)C[S+]1CCCC1.[Br-]
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Smiles:
O=C(C(C)(C)C)C[S+]1CCCC1.[Br-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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