AH51759
85366-66-1 | 3-Bromo-4-(trifluoromethoxy)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AH51759
ChemicalName
3-Bromo-4-(trifluoromethoxy)benzaldehyde
CasNumber
85366-66-1
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0153696
MdlNumber
MFCD08458004
Smiles
O=Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AH51759
ChemicalName: 3-Bromo-4-(trifluoromethoxy)benzaldehyde
CasNumber: 85366-66-1
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0153696
MdlNumber: MFCD08458004
Smiles: O=Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AH51759
ChemicalName:
3-Bromo-4-(trifluoromethoxy)benzaldehyde
CasNumber:
85366-66-1
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0153696
MdlNumber:
MFCD08458004
Smiles:
O=Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: CCOC(=O)[C@@H]1[C@@H]2[C@H]1COCOC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)[C@@H]1[C@@H]2[C@H]1COCOC2
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1ccc(o1)CSC(=N)N.Br
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Smiles:
[O-][N+](=O)c1ccc(o1)CSC(=N)N.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: O=Cc1cc(Br)ccc1OCC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1cc(Br)ccc1OCC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__