AB62257
326-90-9 | 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
Manufacturer: A2B Chem
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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
NscNumber
9186
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
1.5
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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
NscNumber: 9186
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
NscNumber:
9186
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
NscNumber: __
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
NscNumber:
__
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
NscNumber: __
Complexity: 104
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ncn[nH]1
NscNumber:
__
Complexity:
104
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: AB62260
ChemicalName: 2H-Benzo[e][1,3]oxazine-2,4(3h)-dione
CasNumber: 2037-95-8
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD00600566
Smiles: O=c1oc2ccccc2c(=O)[nH]1
NscNumber: __
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB62260
ChemicalName:
2H-Benzo[e][1,3]oxazine-2,4(3h)-dione
CasNumber:
2037-95-8
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD00600566
Smiles:
O=c1oc2ccccc2c(=O)[nH]1
NscNumber:
__
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1