AA36342
1261940-97-9 | 2-(3-Fluoro-4-methylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36342
ChemicalName
2-(3-Fluoro-4-methylphenyl)benzoic acid
CasNumber
1261940-97-9
MolecularFormula
C14H11FO2
MolecularWeight
230.2343
MdlNumber
MFCD18312596
Smiles
OC(=O)c1ccccc1c1ccc(c(c1)F)C
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA36342
ChemicalName: 2-(3-Fluoro-4-methylphenyl)benzoic acid
CasNumber: 1261940-97-9
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD18312596
Smiles: OC(=O)c1ccccc1c1ccc(c(c1)F)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA36342
ChemicalName:
2-(3-Fluoro-4-methylphenyl)benzoic acid
CasNumber:
1261940-97-9
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD18312596
Smiles:
OC(=O)c1ccccc1c1ccc(c(c1)F)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AA36343
ChemicalName: 1-BOC- 2-(2-(3-trifluoromethylphenoxy)ethyl)piperidine
CasNumber: 1261940-28-6
MolecularFormula: C19H26F3NO3
MolecularWeight: 373.4098
MdlNumber: MFCD18311884
Smiles: O=C(N1CCCCC1CCOc1cccc(c1)C(F)(F)F)OC(C)(C)C
Complexity: 462
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 4.9
CatalogNumber:
AA36343
ChemicalName:
1-BOC- 2-(2-(3-trifluoromethylphenoxy)ethyl)piperidine
CasNumber:
1261940-28-6
MolecularFormula:
C19H26F3NO3
MolecularWeight:
373.4098
MdlNumber:
MFCD18311884
Smiles:
O=C(N1CCCCC1CCOc1cccc(c1)C(F)(F)F)OC(C)(C)C
Complexity:
462
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)c1cc(Cl)ccc1Br
Complexity: 207
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)c1cc(Cl)ccc1Br
Complexity:
207
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCn1cnc2c1cc(F)c(c2)Br
Complexity: 203
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCn1cnc2c1cc(F)c(c2)Br
Complexity:
203
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1