AA28579
1245563-21-6 | 2-tert-Butyl-3-hydroxy-4-methoxyisoindolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA28579
ChemicalName
2-tert-Butyl-3-hydroxy-4-methoxyisoindolin-1-one
CasNumber
1245563-21-6
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD17015787
Smiles
COc1cccc2c1C(O)N(C2=O)C(C)(C)C
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AA28579
ChemicalName: 2-tert-Butyl-3-hydroxy-4-methoxyisoindolin-1-one
CasNumber: 1245563-21-6
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD17015787
Smiles: COc1cccc2c1C(O)N(C2=O)C(C)(C)C
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AA28579
ChemicalName:
2-tert-Butyl-3-hydroxy-4-methoxyisoindolin-1-one
CasNumber:
1245563-21-6
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD17015787
Smiles:
COc1cccc2c1C(O)N(C2=O)C(C)(C)C
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCOc1cc(Cl)ccc1Br
Complexity: 146
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCOc1cc(Cl)ccc1Br
Complexity:
146
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1
CatalogNumber: AA28581
ChemicalName: N-Ethyl 4-bromo-2-methoxybenzamide
CasNumber: 1245563-19-2
MolecularFormula: C10H12BrNO2
MolecularWeight: 258.1118
MdlNumber: MFCD17015776
Smiles: CCNC(=O)c1ccc(cc1OC)Br
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
AA28581
ChemicalName:
N-Ethyl 4-bromo-2-methoxybenzamide
CasNumber:
1245563-19-2
MolecularFormula:
C10H12BrNO2
MolecularWeight:
258.1118
MdlNumber:
MFCD17015776
Smiles:
CCNC(=O)c1ccc(cc1OC)Br
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8
CatalogNumber: AA28582
ChemicalName: 2-Ethoxy-6-trifluoromethylpyridine
CasNumber: 1245563-18-1
MolecularFormula: C8H8F3NO
MolecularWeight: 191.1504
MdlNumber: MFCD17015840
Smiles: CCOc1cccc(n1)C(F)(F)F
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AA28582
ChemicalName:
2-Ethoxy-6-trifluoromethylpyridine
CasNumber:
1245563-18-1
MolecularFormula:
C8H8F3NO
MolecularWeight:
191.1504
MdlNumber:
MFCD17015840
Smiles:
CCOc1cccc(n1)C(F)(F)F
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4