AE16732
1092400-82-2 | 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE16732
ChemicalName
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber
1092400-82-2
MolecularFormula
C10H5F3N2O3
MolecularWeight
258.1535
MdlNumber
MFCD09907879
Smiles
OC(=O)c1cccc(c1)c1noc(n1)C(F)(F)F
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AE16732
ChemicalName: 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber: 1092400-82-2
MolecularFormula: C10H5F3N2O3
MolecularWeight: 258.1535
MdlNumber: MFCD09907879
Smiles: OC(=O)c1cccc(c1)c1noc(n1)C(F)(F)F
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AE16732
ChemicalName:
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber:
1092400-82-2
MolecularFormula:
C10H5F3N2O3
MolecularWeight:
258.1535
MdlNumber:
MFCD09907879
Smiles:
OC(=O)c1cccc(c1)c1noc(n1)C(F)(F)F
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCN(C1)c1ncc(cc1Cl)C(F)(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCN(C1)c1ncc(cc1Cl)C(F)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(cnc1NC1CCNCC1)C(F)(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(cnc1NC1CCNCC1)C(F)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE16735
ChemicalName: 2,3-Difluoro-5-nitrophenol
CasNumber: 1119455-04-7
MolecularFormula: C6H3F2NO3
MolecularWeight: 175.0897
MdlNumber: MFCD12026384
Smiles: Oc1cc(cc(c1F)F)[N+](=O)[O-]
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AE16735
ChemicalName:
2,3-Difluoro-5-nitrophenol
CasNumber:
1119455-04-7
MolecularFormula:
C6H3F2NO3
MolecularWeight:
175.0897
MdlNumber:
MFCD12026384
Smiles:
Oc1cc(cc(c1F)F)[N+](=O)[O-]
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.6