AB20957
22913-25-3 | Methyl benzothiophene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB20957
ChemicalName
Methyl benzothiophene-3-carboxylate
CasNumber
22913-25-3
MolecularFormula
C10H8O2S
MolecularWeight
192.2343
MdlNumber
MFCD06203855
Smiles
COC(=O)c1csc2c1cccc2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB20957
ChemicalName: Methyl benzothiophene-3-carboxylate
CasNumber: 22913-25-3
MolecularFormula: C10H8O2S
MolecularWeight: 192.2343
MdlNumber: MFCD06203855
Smiles: COC(=O)c1csc2c1cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB20957
ChemicalName:
Methyl benzothiophene-3-carboxylate
CasNumber:
22913-25-3
MolecularFormula:
C10H8O2S
MolecularWeight:
192.2343
MdlNumber:
MFCD06203855
Smiles:
COC(=O)c1csc2c1cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AB20958
ChemicalName: Methyl benzo[b]thiophene-2-carboxylate
CasNumber: 22913-24-2
MolecularFormula: C10H8O2S
MolecularWeight: 192.2343
MdlNumber: MFCD00067791
Smiles: COC(=O)c1cc2c(s1)cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB20958
ChemicalName:
Methyl benzo[b]thiophene-2-carboxylate
CasNumber:
22913-24-2
MolecularFormula:
C10H8O2S
MolecularWeight:
192.2343
MdlNumber:
MFCD00067791
Smiles:
COC(=O)c1cc2c(s1)cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: CC(OC(=O)c1ccc(cc1)Cl)C
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CC(OC(=O)c1ccc(cc1)Cl)C
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Smiles: O[C@@H](c1cccc2c1cccc2)[C@H](c1cccc2c1cccc2)O
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Smiles:
O[C@@H](c1cccc2c1cccc2)[C@H](c1cccc2c1cccc2)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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