AA27968
1242336-60-2 | 2-t-Butyl-3-hydroxy-6-trifluoromethylisoindolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA27968
ChemicalName
2-t-Butyl-3-hydroxy-6-trifluoromethylisoindolin-1-one
CasNumber
1242336-60-2
MolecularFormula
C13H14F3NO2
MolecularWeight
273.251
MdlNumber
MFCD17015811
Smiles
O=C1c2cc(ccc2C(N1C(C)(C)C)O)C(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: AA27968
ChemicalName: 2-t-Butyl-3-hydroxy-6-trifluoromethylisoindolin-1-one
CasNumber: 1242336-60-2
MolecularFormula: C13H14F3NO2
MolecularWeight: 273.251
MdlNumber: MFCD17015811
Smiles: O=C1c2cc(ccc2C(N1C(C)(C)C)O)C(F)(F)F
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AA27968
ChemicalName:
2-t-Butyl-3-hydroxy-6-trifluoromethylisoindolin-1-one
CasNumber:
1242336-60-2
MolecularFormula:
C13H14F3NO2
MolecularWeight:
273.251
MdlNumber:
MFCD17015811
Smiles:
O=C1c2cc(ccc2C(N1C(C)(C)C)O)C(F)(F)F
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: AA27969
ChemicalName: 4-Bromo-5-ethoxy-2-nitroaniline
CasNumber: 1242336-59-9
MolecularFormula: C8H9BrN2O3
MolecularWeight: 261.0727
MdlNumber: MFCD16660262
Smiles: CCOc1cc(N)c(cc1Br)[N+](=O)[O-]
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
AA27969
ChemicalName:
4-Bromo-5-ethoxy-2-nitroaniline
CasNumber:
1242336-59-9
MolecularFormula:
C8H9BrN2O3
MolecularWeight:
261.0727
MdlNumber:
MFCD16660262
Smiles:
CCOc1cc(N)c(cc1Br)[N+](=O)[O-]
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7
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