AC96798
68216-65-9 | 3-Bromo-2,5-dimethoxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AC96798
ChemicalName
3-Bromo-2,5-dimethoxybenzaldehyde
CasNumber
68216-65-9
MolecularFormula
C9H9BrO3
MolecularWeight
245.07
MdlNumber
MFCD00091892
Smiles
COc1cc(C=O)c(c(c1)Br)OC
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AC96798
ChemicalName: 3-Bromo-2,5-dimethoxybenzaldehyde
CasNumber: 68216-65-9
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD00091892
Smiles: COc1cc(C=O)c(c(c1)Br)OC
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AC96798
ChemicalName:
3-Bromo-2,5-dimethoxybenzaldehyde
CasNumber:
68216-65-9
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD00091892
Smiles:
COc1cc(C=O)c(c(c1)Br)OC
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
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Smiles: c1cccnc1.CCCS(=O)(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
c1cccnc1.CCCS(=O)(=O)O
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [O-]S(=O)(=O)O.CCCCCCCCCCCCCCCC[N+](C)(C)C
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Smiles:
[O-]S(=O)(=O)O.CCCCCCCCCCCCCCCC[N+](C)(C)C
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CN1CCN(CC1)CCCN1C(=O)c2c(C1=O)cccc2
Complexity: __
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HeavyAtomCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CN1CCN(CC1)CCCN1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__