AA63796
145767-78-8 | 5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
Manufacturer: A2B Chem
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CatalogNumber
AA63796
ChemicalName
5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
CasNumber
145767-78-8
MolecularFormula
C8H4BrF5O
MolecularWeight
291.0128
MdlNumber
MFCD19237199
Smiles
FC(COc1c(F)cc(cc1F)Br)(F)F
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AA63796
ChemicalName: 5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
CasNumber: 145767-78-8
MolecularFormula: C8H4BrF5O
MolecularWeight: 291.0128
MdlNumber: MFCD19237199
Smiles: FC(COc1c(F)cc(cc1F)Br)(F)F
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA63796
ChemicalName:
5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
CasNumber:
145767-78-8
MolecularFormula:
C8H4BrF5O
MolecularWeight:
291.0128
MdlNumber:
MFCD19237199
Smiles:
FC(COc1c(F)cc(cc1F)Br)(F)F
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
3.9
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Smiles: CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)O
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Oc1cc(O)cc(c1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cc(O)cc(c1)O)C=C3)c1cc(O)cc(c1)O)[nH]2)c1cc(O)cc(c1)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1cc(O)cc(c1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cc(O)cc(c1)O)C=C3)c1cc(O)cc(c1)O)[nH]2)c1cc(O)cc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)C(=O)/C=C/c1ccccc1O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(=O)/C=C/c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__