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94512-07-9

94512-07-9 | 1H-Isoindole-1-acetamide, 2,3-dihydro-3-oxo-

CAS No: 94512-07-9 Catalog No: AG00IIB6 MDL No:MFCD00464863

Product Description

Catalog Number:
AG00IIB6
Chemical Name:
1H-Isoindole-1-acetamide, 2,3-dihydro-3-oxo-
CAS Number:
94512-07-9
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00464863
IUPAC Name:
2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
InChI:
InChI=1S/C10H10N2O2/c11-9(13)5-8-6-3-1-2-4-7(6)10(14)12-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)
InChI Key:
AJEGLPHDCIMJPT-UHFFFAOYSA-N
SMILES:
NC(=O)CC1NC(=O)c2c1cccc2

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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