AC98676
93748-20-0 | 2-(3-Fluorophenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC98676
ChemicalName
2-(3-Fluorophenyl)-2-methylpropanoic acid
CasNumber
93748-20-0
MolecularFormula
C10H11FO2
MolecularWeight
182.1915
MdlNumber
MFCD11036911
Smiles
Fc1cccc(c1)C(C(=O)O)(C)C
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AC98676
ChemicalName: 2-(3-Fluorophenyl)-2-methylpropanoic acid
CasNumber: 93748-20-0
MolecularFormula: C10H11FO2
MolecularWeight: 182.1915
MdlNumber: MFCD11036911
Smiles: Fc1cccc(c1)C(C(=O)O)(C)C
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AC98676
ChemicalName:
2-(3-Fluorophenyl)-2-methylpropanoic acid
CasNumber:
93748-20-0
MolecularFormula:
C10H11FO2
MolecularWeight:
182.1915
MdlNumber:
MFCD11036911
Smiles:
Fc1cccc(c1)C(C(=O)O)(C)C
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=Nc1c([nH]c2n1nc(c2)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=Nc1c([nH]c2n1nc(c2)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OCCn1nnc(n1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCCn1nnc(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: Oc1ccc(nc1)NC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(nc1)NC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__