AE28602
105191-53-5 | Ethyl 6-chloro-1-benzothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE28602
ChemicalName
Ethyl 6-chloro-1-benzothiophene-2-carboxylate
CasNumber
105191-53-5
MolecularFormula
C11H9ClO2S
MolecularWeight
240.706
MdlNumber
MFCD25372107
Smiles
CCOC(=O)c1cc2c(s1)cc(cc2)Cl
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
4.1
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CatalogNumber: AE28602
ChemicalName: Ethyl 6-chloro-1-benzothiophene-2-carboxylate
CasNumber: 105191-53-5
MolecularFormula: C11H9ClO2S
MolecularWeight: 240.706
MdlNumber: MFCD25372107
Smiles: CCOC(=O)c1cc2c(s1)cc(cc2)Cl
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4.1
CatalogNumber:
AE28602
ChemicalName:
Ethyl 6-chloro-1-benzothiophene-2-carboxylate
CasNumber:
105191-53-5
MolecularFormula:
C11H9ClO2S
MolecularWeight:
240.706
MdlNumber:
MFCD25372107
Smiles:
CCOC(=O)c1cc2c(s1)cc(cc2)Cl
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4.1
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Smiles: OB(c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OB(c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-][n+]1cc(F)c(cc1C)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][n+]1cc(F)c(cc1C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__