AA00957
10009-25-3 | 4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA00957
ChemicalName
4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid
CasNumber
10009-25-3
MolecularFormula
C9H6F4O3
MolecularWeight
238.1358
MdlNumber
MFCD00155926
Smiles
FC(C(Oc1ccc(cc1)C(=O)O)(F)F)F
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AA00957
ChemicalName: 4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid
CasNumber: 10009-25-3
MolecularFormula: C9H6F4O3
MolecularWeight: 238.1358
MdlNumber: MFCD00155926
Smiles: FC(C(Oc1ccc(cc1)C(=O)O)(F)F)F
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AA00957
ChemicalName:
4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid
CasNumber:
10009-25-3
MolecularFormula:
C9H6F4O3
MolecularWeight:
238.1358
MdlNumber:
MFCD00155926
Smiles:
FC(C(Oc1ccc(cc1)C(=O)O)(F)F)F
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](CCCCNC(=O)C(F)(F)F)N
Complexity: 255
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](CCCCNC(=O)C(F)(F)F)N
Complexity:
255
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I)COC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I)COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA00960
ChemicalName: 2-(Boc-amino)-6-hydroxyspiro[3.3]heptane
CasNumber: 1000933-99-2
MolecularFormula: C12H21NO3
MolecularWeight: 227.3
MdlNumber: MFCD09702342
Smiles: OC1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Complexity: 281
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AA00960
ChemicalName:
2-(Boc-amino)-6-hydroxyspiro[3.3]heptane
CasNumber:
1000933-99-2
MolecularFormula:
C12H21NO3
MolecularWeight:
227.3
MdlNumber:
MFCD09702342
Smiles:
OC1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Complexity:
281
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5