AC08536
875444-08-9 | (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AC08536
ChemicalName
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CasNumber
875444-08-9
MolecularFormula
C12H9F6NO2
MolecularWeight
313.1958
MdlNumber
MFCD16294904
Smiles
C[C@@H]1NC(=O)O[C@@H]1c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
386
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.4
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CatalogNumber: AC08536
ChemicalName: (4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CasNumber: 875444-08-9
MolecularFormula: C12H9F6NO2
MolecularWeight: 313.1958
MdlNumber: MFCD16294904
Smiles: C[C@@H]1NC(=O)O[C@@H]1c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 386
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AC08536
ChemicalName:
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CasNumber:
875444-08-9
MolecularFormula:
C12H9F6NO2
MolecularWeight:
313.1958
MdlNumber:
MFCD16294904
Smiles:
C[C@@H]1NC(=O)O[C@@H]1c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
386
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)Br)CCC1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)Br)CCC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)O)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)O)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC08561
ChemicalName: Methyl 4-(bromomethyl)-3-nitrobenzoate
CasNumber: 88089-94-5
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD12031824
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])CBr
Complexity: 253
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AC08561
ChemicalName:
Methyl 4-(bromomethyl)-3-nitrobenzoate
CasNumber:
88089-94-5
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD12031824
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])CBr
Complexity:
253
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.2