AB54377
33898-90-7 | 2-Thenoylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB54377
ChemicalName
2-Thenoylacetonitrile
CasNumber
33898-90-7
MolecularFormula
C7H5NOS
MolecularWeight
151.1857
MdlNumber
MFCD00052586
Smiles
N#CCC(=O)c1cccs1
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB54377
ChemicalName: 2-Thenoylacetonitrile
CasNumber: 33898-90-7
MolecularFormula: C7H5NOS
MolecularWeight: 151.1857
MdlNumber: MFCD00052586
Smiles: N#CCC(=O)c1cccs1
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB54377
ChemicalName:
2-Thenoylacetonitrile
CasNumber:
33898-90-7
MolecularFormula:
C7H5NOS
MolecularWeight:
151.1857
MdlNumber:
MFCD00052586
Smiles:
N#CCC(=O)c1cccs1
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cccs1
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cccs1
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccs1
Complexity: 56
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cccs1
Complexity:
56
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: AB54380
ChemicalName: 2-(Trifluoromethoxy)phenol
CasNumber: 32858-93-8
MolecularFormula: C7H5F3O2
MolecularWeight: 178.1086096
MdlNumber: MFCD00236324
Smiles: Oc1ccccc1OC(F)(F)F
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB54380
ChemicalName:
2-(Trifluoromethoxy)phenol
CasNumber:
32858-93-8
MolecularFormula:
C7H5F3O2
MolecularWeight:
178.1086096
MdlNumber:
MFCD00236324
Smiles:
Oc1ccccc1OC(F)(F)F
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.5