AE63205
1341391-39-6 | Methyl 2-(5-bromo-2-formylphenyl)thioacetate
Manufacturer: A2B Chem
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CatalogNumber
AE63205
ChemicalName
Methyl 2-(5-bromo-2-formylphenyl)thioacetate
CasNumber
1341391-39-6
MolecularFormula
C10H9BrO3S
MolecularWeight
289.1457
MdlNumber
MFCD18887868
Smiles
COC(=O)CSc1cc(Br)ccc1C=O
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AE63205
ChemicalName: Methyl 2-(5-bromo-2-formylphenyl)thioacetate
CasNumber: 1341391-39-6
MolecularFormula: C10H9BrO3S
MolecularWeight: 289.1457
MdlNumber: MFCD18887868
Smiles: COC(=O)CSc1cc(Br)ccc1C=O
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AE63205
ChemicalName:
Methyl 2-(5-bromo-2-formylphenyl)thioacetate
CasNumber:
1341391-39-6
MolecularFormula:
C10H9BrO3S
MolecularWeight:
289.1457
MdlNumber:
MFCD18887868
Smiles:
COC(=O)CSc1cc(Br)ccc1C=O
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.5
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Smiles: O=C(N1CCC(CC1)CSC(=O)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(N1CCC(CC1)CSC(=O)C)OCc1ccccc1
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1OC[C@@H]2N1CCNC2.Cl
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Smiles:
O=C1OC[C@@H]2N1CCNC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: F[C@H]1CCN(C1)C1CNC1.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
F[C@H]1CCN(C1)C1CNC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__