AI06682
105191-14-8 | Ethyl 5-cyano-1-benzothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI06682
ChemicalName
Ethyl 5-cyano-1-benzothiophene-2-carboxylate
CasNumber
105191-14-8
MolecularFormula
C12H9NO2S
MolecularWeight
231.2704
MdlNumber
MFCD13180921
Smiles
CCOC(=O)c1cc2c(s1)ccc(c2)C#N
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AI06682
ChemicalName: Ethyl 5-cyano-1-benzothiophene-2-carboxylate
CasNumber: 105191-14-8
MolecularFormula: C12H9NO2S
MolecularWeight: 231.2704
MdlNumber: MFCD13180921
Smiles: CCOC(=O)c1cc2c(s1)ccc(c2)C#N
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AI06682
ChemicalName:
Ethyl 5-cyano-1-benzothiophene-2-carboxylate
CasNumber:
105191-14-8
MolecularFormula:
C12H9NO2S
MolecularWeight:
231.2704
MdlNumber:
MFCD13180921
Smiles:
CCOC(=O)c1cc2c(s1)ccc(c2)C#N
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=C(C=C1C#N)CO)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=C(C=C1C#N)CO)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(CCNC(=O)c1ccc(cc1)Br)CC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(CCNC(=O)c1ccc(cc1)Br)CC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1cc(Cl)cc(c1)Cl)NC(=O)OC(C)(C)C
Complexity: 374
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1cc(Cl)cc(c1)Cl)NC(=O)OC(C)(C)C
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8