AB50971
582-53-6 | 3-(2,4,5-Trichlorophenoxy)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50971
ChemicalName
3-(2,4,5-Trichlorophenoxy)propanoic acid
CasNumber
582-53-6
MolecularFormula
C9H7Cl3O3
MolecularWeight
269.5091
MdlNumber
MFCD00045942
Smiles
OC(=O)CCOc1cc(Cl)c(cc1Cl)Cl
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AB50971
ChemicalName: 3-(2,4,5-Trichlorophenoxy)propanoic acid
CasNumber: 582-53-6
MolecularFormula: C9H7Cl3O3
MolecularWeight: 269.5091
MdlNumber: MFCD00045942
Smiles: OC(=O)CCOc1cc(Cl)c(cc1Cl)Cl
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AB50971
ChemicalName:
3-(2,4,5-Trichlorophenoxy)propanoic acid
CasNumber:
582-53-6
MolecularFormula:
C9H7Cl3O3
MolecularWeight:
269.5091
MdlNumber:
MFCD00045942
Smiles:
OC(=O)CCOc1cc(Cl)c(cc1Cl)Cl
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]1COC(O1)(C)C
Complexity: 342
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]1COC(O1)(C)C
Complexity:
342
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 596
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
596
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2