AB50220
340736-76-7 | 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50220
ChemicalName
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber
340736-76-7
MolecularFormula
C10H5F3N2O3
MolecularWeight
258.1535
MdlNumber
MFCD16659622
Smiles
OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB50220
ChemicalName: 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber: 340736-76-7
MolecularFormula: C10H5F3N2O3
MolecularWeight: 258.1535
MdlNumber: MFCD16659622
Smiles: OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB50220
ChemicalName:
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber:
340736-76-7
MolecularFormula:
C10H5F3N2O3
MolecularWeight:
258.1535
MdlNumber:
MFCD16659622
Smiles:
OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AB50221
ChemicalName: 5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber: 34036-16-3
MolecularFormula: C9H16O3
MolecularWeight: 172.2215
MdlNumber: MFCD00086868
Smiles: CCOC(=O)CC(=O)CC(C)C
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 1.5
CatalogNumber:
AB50221
ChemicalName:
5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber:
34036-16-3
MolecularFormula:
C9H16O3
MolecularWeight:
172.2215
MdlNumber:
MFCD00086868
Smiles:
CCOC(=O)CC(=O)CC(C)C
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
1.5
CatalogNumber: AB50222
ChemicalName: 2-Chloro-3-oxo-succinic acid diethyl ester
CasNumber: 34034-87-2
MolecularFormula: C8H11ClO5
MolecularWeight: 222.6229
MdlNumber: MFCD04114359
Smiles: CCOC(=O)C(=O)C(C(=O)OCC)Cl
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AB50222
ChemicalName:
2-Chloro-3-oxo-succinic acid diethyl ester
CasNumber:
34034-87-2
MolecularFormula:
C8H11ClO5
MolecularWeight:
222.6229
MdlNumber:
MFCD04114359
Smiles:
CCOC(=O)C(=O)C(C(=O)OCC)Cl
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC1OC([S-])C(C(C1OC(=O)C)OC(=O)C)OC(=O)C.CCP(CC)CC.[Au+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC1OC([S-])C(C(C1OC(=O)C)OC(=O)C)OC(=O)C.CCP(CC)CC.[Au+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__