AA89899
167683-63-8 | 3-(2,6-Difluorophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA89899
ChemicalName
3-(2,6-Difluorophenyl)propanoic acid
CasNumber
167683-63-8
MolecularFormula
C9H8F2O2
MolecularWeight
186.1554
MdlNumber
MFCD06823978
Smiles
OC(=O)CCc1c(F)cccc1F
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AA89899
ChemicalName: 3-(2,6-Difluorophenyl)propanoic acid
CasNumber: 167683-63-8
MolecularFormula: C9H8F2O2
MolecularWeight: 186.1554
MdlNumber: MFCD06823978
Smiles: OC(=O)CCc1c(F)cccc1F
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AA89899
ChemicalName:
3-(2,6-Difluorophenyl)propanoic acid
CasNumber:
167683-63-8
MolecularFormula:
C9H8F2O2
MolecularWeight:
186.1554
MdlNumber:
MFCD06823978
Smiles:
OC(=O)CCc1c(F)cccc1F
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
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Smiles: CC(=O)Oc1cccc(c1C)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)Oc1cccc(c1C)C(=O)Cl
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)CC(=O)CSc1cccc(c1)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CCOC(=O)CC(=O)CSc1cccc(c1)OC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCN1CCCc2c1cccc2
Complexity: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCN1CCCc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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