AA49099
1365273-05-7 | Methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA49099
ChemicalName
Methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber
1365273-05-7
MolecularFormula
C15H10F4O2
MolecularWeight
298.2323
MdlNumber
MFCD21609728
Smiles
COC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
4.4
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CatalogNumber: AA49099
ChemicalName: Methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber: 1365273-05-7
MolecularFormula: C15H10F4O2
MolecularWeight: 298.2323
MdlNumber: MFCD21609728
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA49099
ChemicalName:
Methyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber:
1365273-05-7
MolecularFormula:
C15H10F4O2
MolecularWeight:
298.2323
MdlNumber:
MFCD21609728
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1F)C(F)(F)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
4.4
CatalogNumber: AA49100
ChemicalName: Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber: 1365273-04-6
MolecularFormula: C13H9F2NO2
MolecularWeight: 249.2129
MdlNumber: MFCD21609726
Smiles: COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AA49100
ChemicalName:
Methyl 3-fluoro-5-(3-fluoropyridin-2-yl)benzoate
CasNumber:
1365273-04-6
MolecularFormula:
C13H9F2NO2
MolecularWeight:
249.2129
MdlNumber:
MFCD21609726
Smiles:
COC(=O)c1cc(F)cc(c1)c1ncccc1F
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AA49101
ChemicalName: 6-Bromo-4-propyl-2H-1,4-benzoxazin-3-one
CasNumber: 1365273-01-3
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.1225
MdlNumber: MFCD21609655
Smiles: CCCN1C(=O)COc2c1cc(Br)cc2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA49101
ChemicalName:
6-Bromo-4-propyl-2H-1,4-benzoxazin-3-one
CasNumber:
1365273-01-3
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.1225
MdlNumber:
MFCD21609655
Smiles:
CCCN1C(=O)COc2c1cc(Br)cc2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AA49102
ChemicalName: 4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline
CasNumber: 1365272-99-6
MolecularFormula: C12H13BrF2N2O2
MolecularWeight: 335.1446
MdlNumber: MFCD21609498
Smiles: [O-][N+](=O)c1cc(Br)c(c(c1NC1CCCCC1)F)F
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 5
CatalogNumber:
AA49102
ChemicalName:
4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline
CasNumber:
1365272-99-6
MolecularFormula:
C12H13BrF2N2O2
MolecularWeight:
335.1446
MdlNumber:
MFCD21609498
Smiles:
[O-][N+](=O)c1cc(Br)c(c(c1NC1CCCCC1)F)F
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
5