AB62256
31909-58-7 | 2-Furoylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB62256
ChemicalName
2-Furoylacetonitrile
CasNumber
31909-58-7
MolecularFormula
C7H5NO2
MolecularWeight
135.1201
MdlNumber
MFCD00166991
Smiles
N#CCC(=O)c1ccco1
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AB62256
ChemicalName: 2-Furoylacetonitrile
CasNumber: 31909-58-7
MolecularFormula: C7H5NO2
MolecularWeight: 135.1201
MdlNumber: MFCD00166991
Smiles: N#CCC(=O)c1ccco1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AB62256
ChemicalName:
2-Furoylacetonitrile
CasNumber:
31909-58-7
MolecularFormula:
C7H5NO2
MolecularWeight:
135.1201
MdlNumber:
MFCD00166991
Smiles:
N#CCC(=O)c1ccco1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: AB62257
ChemicalName: 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
CasNumber: 326-90-9
MolecularFormula: C8H5F3O3
MolecularWeight: 206.1187096
MdlNumber: MFCD00014713
Smiles: O=C(C(F)(F)F)CC(=O)c1ccco1
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB62257
ChemicalName:
4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
CasNumber:
326-90-9
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.1187096
MdlNumber:
MFCD00014713
Smiles:
O=C(C(F)(F)F)CC(=O)c1ccco1
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AB62258
ChemicalName: 2H,2H,3H,3H-Perfluoroundecanoic acid
CasNumber: 34598-33-9
MolecularFormula: C11H5F17O2
MolecularWeight: 492.1291
MdlNumber: MFCD04038353
Smiles: OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity: 647
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 19
RotatableBondCount: 9
Xlogp3: 5.9
CatalogNumber:
AB62258
ChemicalName:
2H,2H,3H,3H-Perfluoroundecanoic acid
CasNumber:
34598-33-9
MolecularFormula:
C11H5F17O2
MolecularWeight:
492.1291
MdlNumber:
MFCD04038353
Smiles:
OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity:
647
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
19
RotatableBondCount:
9
Xlogp3:
5.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ncn[nH]1
Complexity: 104
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ncn[nH]1
Complexity:
104
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8