AA33280
119895-68-0 | 2,2-Difluoro-4-formylbenzodioxole
Manufacturer: A2B Chem
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CatalogNumber
AA33280
ChemicalName
2,2-Difluoro-4-formylbenzodioxole
CasNumber
119895-68-0
MolecularFormula
C8H4F2O3
MolecularWeight
186.11236639999996
MdlNumber
MFCD00792419
Smiles
O=Cc1cccc2c1OC(O2)(F)F
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AA33280
ChemicalName: 2,2-Difluoro-4-formylbenzodioxole
CasNumber: 119895-68-0
MolecularFormula: C8H4F2O3
MolecularWeight: 186.11236639999996
MdlNumber: MFCD00792419
Smiles: O=Cc1cccc2c1OC(O2)(F)F
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA33280
ChemicalName:
2,2-Difluoro-4-formylbenzodioxole
CasNumber:
119895-68-0
MolecularFormula:
C8H4F2O3
MolecularWeight:
186.11236639999996
MdlNumber:
MFCD00792419
Smiles:
O=Cc1cccc2c1OC(O2)(F)F
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AA33282
ChemicalName: 3-phenylbut-2-enoic acid (E/Z mixture)
CasNumber: 1199-20-8
MolecularFormula: C10H10O2
MolecularWeight: 162.1852
MdlNumber: MFCD00053500
Smiles: C/C(=C\C(=O)O)/c1ccccc1
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA33282
ChemicalName:
3-phenylbut-2-enoic acid (E/Z mixture)
CasNumber:
1199-20-8
MolecularFormula:
C10H10O2
MolecularWeight:
162.1852
MdlNumber:
MFCD00053500
Smiles:
C/C(=C\C(=O)O)/c1ccccc1
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: NCCc1cc(O)c(cc1O)O
Complexity: __
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Smiles:
NCCc1cc(O)c(cc1O)O
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RotatableBondCount:
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Smiles: COc1ccc(c(c1)CC)OC
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(c(c1)CC)OC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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