AG79687
65540-08-1 | 4-[Benzo(b)thiophen-2-yl]phenol
Manufacturer: A2B Chem
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CatalogNumber
AG79687
ChemicalName
4-[Benzo(b)thiophen-2-yl]phenol
CasNumber
65540-08-1
MolecularFormula
C14H10OS
MolecularWeight
226.2936
MdlNumber
MFCD18312903
Smiles
Oc1ccc(cc1)c1cc2c(s1)cccc2
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AG79687
ChemicalName: 4-[Benzo(b)thiophen-2-yl]phenol
CasNumber: 65540-08-1
MolecularFormula: C14H10OS
MolecularWeight: 226.2936
MdlNumber: MFCD18312903
Smiles: Oc1ccc(cc1)c1cc2c(s1)cccc2
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AG79687
ChemicalName:
4-[Benzo(b)thiophen-2-yl]phenol
CasNumber:
65540-08-1
MolecularFormula:
C14H10OS
MolecularWeight:
226.2936
MdlNumber:
MFCD18312903
Smiles:
Oc1ccc(cc1)c1cc2c(s1)cccc2
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCN(CC1)c1ccc(c(c1)Cl)C=O
Complexity: 254
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCN(CC1)c1ccc(c(c1)Cl)C=O
Complexity:
254
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AG79689
ChemicalName: 4-(1,3,4-Oxadiazol-2-yl)benzoic acid
CasNumber: 59663-66-0
MolecularFormula: C9H6N2O3
MolecularWeight: 190.1555
MdlNumber: MFCD07352166
Smiles: OC(=O)c1ccc(cc1)c1nnco1
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AG79689
ChemicalName:
4-(1,3,4-Oxadiazol-2-yl)benzoic acid
CasNumber:
59663-66-0
MolecularFormula:
C9H6N2O3
MolecularWeight:
190.1555
MdlNumber:
MFCD07352166
Smiles:
OC(=O)c1ccc(cc1)c1nnco1
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOP(=O)(CS(=O)(=O)c1ccc(cc1)C)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOP(=O)(CS(=O)(=O)c1ccc(cc1)C)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__