AA57090
1381944-83-7 | 2-tert-Butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA57090
ChemicalName
2-tert-Butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CasNumber
1381944-83-7
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD22375029
Smiles
COc1ccc2c(c1)C(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: AA57090
ChemicalName: 2-tert-Butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CasNumber: 1381944-83-7
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD22375029
Smiles: COc1ccc2c(c1)C(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:
AA57090
ChemicalName:
2-tert-Butyl-3-hydroxy-5-methoxy-3H-isoindol-1-one
CasNumber:
1381944-83-7
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD22375029
Smiles:
COc1ccc2c(c1)C(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: AA57091
ChemicalName: 2-Fluoro-4-(3-methylphenyl)benzonitrile
CasNumber: 1381944-81-5
MolecularFormula: C14H10FN
MolecularWeight: 211.2343
MdlNumber: MFCD22375071
Smiles: N#Cc1ccc(cc1F)c1cccc(c1)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
AA57091
ChemicalName:
2-Fluoro-4-(3-methylphenyl)benzonitrile
CasNumber:
1381944-81-5
MolecularFormula:
C14H10FN
MolecularWeight:
211.2343
MdlNumber:
MFCD22375071
Smiles:
N#Cc1ccc(cc1F)c1cccc(c1)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN1CCN(CC1)c1ccc(c(c1)Cl)C=O
Complexity: 270
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN1CCN(CC1)c1ccc(c(c1)Cl)C=O
Complexity:
270
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: AA57093
ChemicalName: 2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid
CasNumber: 1381944-79-1
MolecularFormula: C15H11FO5
MolecularWeight: 290.2432
MdlNumber: MFCD22375048
Smiles: COc1cc(cc(c1)c1ccc(cc1F)C(=O)O)C(=O)O
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
AA57093
ChemicalName:
2-Fluoro-5'-methoxybiphenyl-3',4-dicarboxylic acid
CasNumber:
1381944-79-1
MolecularFormula:
C15H11FO5
MolecularWeight:
290.2432
MdlNumber:
MFCD22375048
Smiles:
COc1cc(cc(c1)c1ccc(cc1F)C(=O)O)C(=O)O
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7