AA86335
1643-26-1 | 3-(2-Fluorophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA86335
ChemicalName
3-(2-Fluorophenyl)propanoic acid
CasNumber
1643-26-1
MolecularFormula
C9H9FO2
MolecularWeight
168.165
MdlNumber
MFCD01310820
Smiles
OC(=O)CCc1ccccc1F
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AA86335
ChemicalName: 3-(2-Fluorophenyl)propanoic acid
CasNumber: 1643-26-1
MolecularFormula: C9H9FO2
MolecularWeight: 168.165
MdlNumber: MFCD01310820
Smiles: OC(=O)CCc1ccccc1F
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
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-]
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)OCC(=O)O)C
Complexity: 181
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)OCC(=O)O)C
Complexity:
181
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AA86339
ChemicalName: m-Methylphenoxyacetic acid
CasNumber: 1643-15-8
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00014358
Smiles: OC(=O)COc1cccc(c1)C
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA86339
ChemicalName:
m-Methylphenoxyacetic acid
CasNumber:
1643-15-8
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00014358
Smiles:
OC(=O)COc1cccc(c1)C
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8