AA49022
1365271-42-6 | Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA49022
ChemicalName
Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber
1365271-42-6
MolecularFormula
C15H10F4O2
MolecularWeight
298.2323
MdlNumber
MFCD21609729
Smiles
COC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
4.4
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CatalogNumber: AA49022
ChemicalName: Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber: 1365271-42-6
MolecularFormula: C15H10F4O2
MolecularWeight: 298.2323
MdlNumber: MFCD21609729
Smiles: COC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA49022
ChemicalName:
Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber:
1365271-42-6
MolecularFormula:
C15H10F4O2
MolecularWeight:
298.2323
MdlNumber:
MFCD21609729
Smiles:
COC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1ccc2c(c1)c(=O)c(c(o2)c1ccc(c(c1)OC)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1ccc2c(c1)c(=O)c(c(o2)c1ccc(c(c1)OC)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA49024
ChemicalName: 3-[3-(Carboxymethyl)phenyl]benzoic acid
CasNumber: 1365272-23-6
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD21609594
Smiles: OC(=O)Cc1cccc(c1)c1cccc(c1)C(=O)O
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AA49024
ChemicalName:
3-[3-(Carboxymethyl)phenyl]benzoic acid
CasNumber:
1365272-23-6
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD21609594
Smiles:
OC(=O)Cc1cccc(c1)c1cccc(c1)C(=O)O
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: AA49025
ChemicalName: 5-Bromo-1-cyclopentyl-6-fluorobenzimidazole
CasNumber: 1365272-22-5
MolecularFormula: C12H12BrFN2
MolecularWeight: 283.1395
MdlNumber: MFCD21609574
Smiles: Brc1cc2ncn(c2cc1F)C1CCCC1
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AA49025
ChemicalName:
5-Bromo-1-cyclopentyl-6-fluorobenzimidazole
CasNumber:
1365272-22-5
MolecularFormula:
C12H12BrFN2
MolecularWeight:
283.1395
MdlNumber:
MFCD21609574
Smiles:
Brc1cc2ncn(c2cc1F)C1CCCC1
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.4