AA27970
1242336-58-8 | 2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA27970
ChemicalName
2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one
CasNumber
1242336-58-8
MolecularFormula
C13H14F3NO2
MolecularWeight
273.2509695999999
MdlNumber
MFCD17015810
Smiles
OC1c2c(C(=O)N1C(C)(C)C)cccc2C(F)(F)F
Complexity
375
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AA27970
ChemicalName: 2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one
CasNumber: 1242336-58-8
MolecularFormula: C13H14F3NO2
MolecularWeight: 273.2509695999999
MdlNumber: MFCD17015810
Smiles: OC1c2c(C(=O)N1C(C)(C)C)cccc2C(F)(F)F
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AA27970
ChemicalName:
2-t-Butyl-3-hydroxy-4-trifluoromethylisoindolin-1-one
CasNumber:
1242336-58-8
MolecularFormula:
C13H14F3NO2
MolecularWeight:
273.2509695999999
MdlNumber:
MFCD17015810
Smiles:
OC1c2c(C(=O)N1C(C)(C)C)cccc2C(F)(F)F
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: AA27971
ChemicalName: 1-Bromo-4-isobutyl-2-nitrobenzene
CasNumber: 1242336-57-7
MolecularFormula: C10H12BrNO2
MolecularWeight: 258.1118
MdlNumber: MFCD17015725
Smiles: CC(Cc1ccc(c(c1)[N+](=O)[O-])Br)C
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
AA27971
ChemicalName:
1-Bromo-4-isobutyl-2-nitrobenzene
CasNumber:
1242336-57-7
MolecularFormula:
C10H12BrNO2
MolecularWeight:
258.1118
MdlNumber:
MFCD17015725
Smiles:
CC(Cc1ccc(c(c1)[N+](=O)[O-])Br)C
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc(nc1)SC1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc(nc1)SC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA27973
ChemicalName: 5-Bromo-2-(N-methylsufonylamino)pyrimidine
CasNumber: 1242336-55-5
MolecularFormula: C5H6BrN3O2S
MolecularWeight: 252.08903999999998
MdlNumber: MFCD16660319
Smiles: Brc1cnc(nc1)NS(=O)(=O)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
AA27973
ChemicalName:
5-Bromo-2-(N-methylsufonylamino)pyrimidine
CasNumber:
1242336-55-5
MolecularFormula:
C5H6BrN3O2S
MolecularWeight:
252.08903999999998
MdlNumber:
MFCD16660319
Smiles:
Brc1cnc(nc1)NS(=O)(=O)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2