AA49014
1365271-68-6 | 1-[4-(Trifluoromethoxy)phenyl]hexan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA49014
ChemicalName
1-[4-(Trifluoromethoxy)phenyl]hexan-1-one
CasNumber
1365271-68-6
MolecularFormula
C13H15F3O2
MolecularWeight
260.2522
MdlNumber
MFCD21609708
Smiles
CCCCCC(=O)c1ccc(cc1)OC(F)(F)F
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
6
Xlogp3
4.7
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CatalogNumber: AA49014
ChemicalName: 1-[4-(Trifluoromethoxy)phenyl]hexan-1-one
CasNumber: 1365271-68-6
MolecularFormula: C13H15F3O2
MolecularWeight: 260.2522
MdlNumber: MFCD21609708
Smiles: CCCCCC(=O)c1ccc(cc1)OC(F)(F)F
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 4.7
CatalogNumber:
AA49014
ChemicalName:
1-[4-(Trifluoromethoxy)phenyl]hexan-1-one
CasNumber:
1365271-68-6
MolecularFormula:
C13H15F3O2
MolecularWeight:
260.2522
MdlNumber:
MFCD21609708
Smiles:
CCCCCC(=O)c1ccc(cc1)OC(F)(F)F
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
4.7
CatalogNumber: AA49015
ChemicalName: 4-[(3-Fluorophenyl)carbonyl]benzonitrile
CasNumber: 1365271-67-5
MolecularFormula: C14H8FNO
MolecularWeight: 225.2178
MdlNumber: MFCD16607525
Smiles: N#Cc1ccc(cc1)C(=O)c1cccc(c1)F
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA49015
ChemicalName:
4-[(3-Fluorophenyl)carbonyl]benzonitrile
CasNumber:
1365271-67-5
MolecularFormula:
C14H8FNO
MolecularWeight:
225.2178
MdlNumber:
MFCD16607525
Smiles:
N#Cc1ccc(cc1)C(=O)c1cccc(c1)F
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AA49016
ChemicalName: 3-(4-Fluoro-3-methoxyphenyl)benzonitrile
CasNumber: 1365271-56-2
MolecularFormula: C14H10FNO
MolecularWeight: 227.2337
MdlNumber: MFCD21609640
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)OC)F
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA49016
ChemicalName:
3-(4-Fluoro-3-methoxyphenyl)benzonitrile
CasNumber:
1365271-56-2
MolecularFormula:
C14H10FNO
MolecularWeight:
227.2337
MdlNumber:
MFCD21609640
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)OC)F
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AA49017
ChemicalName: 4-(2-Acetylphenyl)-2-fluorobenzoic acid
CasNumber: 1365271-52-8
MolecularFormula: C15H11FO3
MolecularWeight: 258.2444
MdlNumber: MFCD21609634
Smiles: OC(=O)c1ccc(cc1F)c1ccccc1C(=O)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AA49017
ChemicalName:
4-(2-Acetylphenyl)-2-fluorobenzoic acid
CasNumber:
1365271-52-8
MolecularFormula:
C15H11FO3
MolecularWeight:
258.2444
MdlNumber:
MFCD21609634
Smiles:
OC(=O)c1ccc(cc1F)c1ccccc1C(=O)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.9