AA36381
1261944-34-6 | 2-Fluoro-4-(4-methylthiophenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36381
ChemicalName
2-Fluoro-4-(4-methylthiophenyl)benzoic acid
CasNumber
1261944-34-6
MolecularFormula
C14H11FO2S
MolecularWeight
262.2993
MdlNumber
MFCD18320526
Smiles
CSc1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA36381
ChemicalName: 2-Fluoro-4-(4-methylthiophenyl)benzoic acid
CasNumber: 1261944-34-6
MolecularFormula: C14H11FO2S
MolecularWeight: 262.2993
MdlNumber: MFCD18320526
Smiles: CSc1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA36381
ChemicalName:
2-Fluoro-4-(4-methylthiophenyl)benzoic acid
CasNumber:
1261944-34-6
MolecularFormula:
C14H11FO2S
MolecularWeight:
262.2993
MdlNumber:
MFCD18320526
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)F)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 298
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
298
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AA36383
ChemicalName: 2-Fluoro-5-(2-hydroxyphenyl)benzoic acid
CasNumber: 1261943-94-5
MolecularFormula: C13H9FO3
MolecularWeight: 232.2072
MdlNumber: MFCD18319015
Smiles: Oc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AA36383
ChemicalName:
2-Fluoro-5-(2-hydroxyphenyl)benzoic acid
CasNumber:
1261943-94-5
MolecularFormula:
C13H9FO3
MolecularWeight:
232.2072
MdlNumber:
MFCD18319015
Smiles:
Oc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: AA36384
ChemicalName: 4-(4-Cyanophenyl)nicotinic acid
CasNumber: 1261943-53-6
MolecularFormula: C13H8N2O2
MolecularWeight: 224.2148
MdlNumber: MFCD18323329
Smiles: N#Cc1ccc(cc1)c1ccncc1C(=O)O
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AA36384
ChemicalName:
4-(4-Cyanophenyl)nicotinic acid
CasNumber:
1261943-53-6
MolecularFormula:
C13H8N2O2
MolecularWeight:
224.2148
MdlNumber:
MFCD18323329
Smiles:
N#Cc1ccc(cc1)c1ccncc1C(=O)O
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7