AA27958
1242336-73-7 | 2-t-Butyl-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA27958
ChemicalName
2-t-Butyl-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
CasNumber
1242336-73-7
MolecularFormula
C13H14F3NO2
MolecularWeight
273.251
MdlNumber
MFCD17015809
Smiles
OC1c2cc(ccc2C(=O)N1C(C)(C)C)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: AA27958
ChemicalName: 2-t-Butyl-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
CasNumber: 1242336-73-7
MolecularFormula: C13H14F3NO2
MolecularWeight: 273.251
MdlNumber: MFCD17015809
Smiles: OC1c2cc(ccc2C(=O)N1C(C)(C)C)C(F)(F)F
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AA27958
ChemicalName:
2-t-Butyl-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
CasNumber:
1242336-73-7
MolecularFormula:
C13H14F3NO2
MolecularWeight:
273.251
MdlNumber:
MFCD17015809
Smiles:
OC1c2cc(ccc2C(=O)N1C(C)(C)C)C(F)(F)F
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: AA27959
ChemicalName: 2-(2,4-Dichlorophenyl)oxazole
CasNumber: 1242336-71-5
MolecularFormula: C9H5Cl2NO
MolecularWeight: 214.0481
MdlNumber: MFCD16660292
Smiles: Clc1ccc(c(c1)Cl)c1ncco1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.3
CatalogNumber:
AA27959
ChemicalName:
2-(2,4-Dichlorophenyl)oxazole
CasNumber:
1242336-71-5
MolecularFormula:
C9H5Cl2NO
MolecularWeight:
214.0481
MdlNumber:
MFCD16660292
Smiles:
Clc1ccc(c(c1)Cl)c1ncco1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.3
CatalogNumber: AA27960
ChemicalName: 3-Benzyloxy-5-bromobenzoic acid
CasNumber: 1242336-70-4
MolecularFormula: C14H11BrO3
MolecularWeight: 307.1393
MdlNumber: MFCD17015777
Smiles: Brc1cc(OCc2ccccc2)cc(c1)C(=O)O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 3.6
CatalogNumber:
AA27960
ChemicalName:
3-Benzyloxy-5-bromobenzoic acid
CasNumber:
1242336-70-4
MolecularFormula:
C14H11BrO3
MolecularWeight:
307.1393
MdlNumber:
MFCD17015777
Smiles:
Brc1cc(OCc2ccccc2)cc(c1)C(=O)O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2[nH]nnc2cc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2[nH]nnc2cc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__