AA36444
1261974-64-4 | 3-Fluoro-4-(2-methylthiophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36444
ChemicalName
3-Fluoro-4-(2-methylthiophenyl)benzoic acid
CasNumber
1261974-64-4
MolecularFormula
C14H11FO2S
MolecularWeight
262.2993
MdlNumber
MFCD22123690
Smiles
CSc1ccccc1c1ccc(cc1F)C(=O)O
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA36444
ChemicalName: 3-Fluoro-4-(2-methylthiophenyl)benzoic acid
CasNumber: 1261974-64-4
MolecularFormula: C14H11FO2S
MolecularWeight: 262.2993
MdlNumber: MFCD22123690
Smiles: CSc1ccccc1c1ccc(cc1F)C(=O)O
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA36444
ChemicalName:
3-Fluoro-4-(2-methylthiophenyl)benzoic acid
CasNumber:
1261974-64-4
MolecularFormula:
C14H11FO2S
MolecularWeight:
262.2993
MdlNumber:
MFCD22123690
Smiles:
CSc1ccccc1c1ccc(cc1F)C(=O)O
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AA36445
ChemicalName: 5-(3-BOC-Aminophenyl)-2-hydroxypyridine
CasNumber: 1261974-19-9
MolecularFormula: C16H18N2O3
MolecularWeight: 286.3257
MdlNumber: MFCD18312548
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)c1ccc(=O)[nH]c1
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA36445
ChemicalName:
5-(3-BOC-Aminophenyl)-2-hydroxypyridine
CasNumber:
1261974-19-9
MolecularFormula:
C16H18N2O3
MolecularWeight:
286.3257
MdlNumber:
MFCD18312548
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)c1ccc(=O)[nH]c1
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.9
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Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)O)C#N
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N#Cc1ccc(cc1)c1ccc(c(c1)O)C#N
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Smiles: OC(=O)c1cncc(c1)c1cccc(c1)S(=O)(=O)C
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1cncc(c1)c1cccc(c1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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