AA86333
1643-29-4 | 3-(4-Iodophenyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AA86333
ChemicalName
3-(4-Iodophenyl)propionic acid
CasNumber
1643-29-4
MolecularFormula
C9H9IO2
MolecularWeight
276.071
MdlNumber
MFCD00017597
Smiles
OC(=O)CCc1ccc(cc1)I
NscNumber
31595
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA86333
ChemicalName: 3-(4-Iodophenyl)propionic acid
CasNumber: 1643-29-4
MolecularFormula: C9H9IO2
MolecularWeight: 276.071
MdlNumber: MFCD00017597
Smiles: OC(=O)CCc1ccc(cc1)I
NscNumber: 31595
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA86333
ChemicalName:
3-(4-Iodophenyl)propionic acid
CasNumber:
1643-29-4
MolecularFormula:
C9H9IO2
MolecularWeight:
276.071
MdlNumber:
MFCD00017597
Smiles:
OC(=O)CCc1ccc(cc1)I
NscNumber:
31595
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCc1ccccc1Cl
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCc1ccccc1Cl
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AA86335
ChemicalName: 3-(2-Fluorophenyl)propanoic acid
CasNumber: 1643-26-1
MolecularFormula: C9H9FO2
MolecularWeight: 168.165
MdlNumber: MFCD01310820
Smiles: OC(=O)CCc1ccccc1F
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA86335
ChemicalName:
3-(2-Fluorophenyl)propanoic acid
CasNumber:
1643-26-1
MolecularFormula:
C9H9FO2
MolecularWeight:
168.165
MdlNumber:
MFCD01310820
Smiles:
OC(=O)CCc1ccccc1F
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
NscNumber: __
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
NscNumber:
__
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__