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Home Halogens 2H-Isoindole-2-aceticacid, 5,6-dichloro-1,3-dihydro-1,3-dioxo-

2H-Isoindole-2-aceticacid, 5,6-dichloro-1,3-dihydro-1,3-dioxo-

CAS No.:
111104-25-7
Catalog Number:
AG007BI1
Molecular Formula:
C10H5Cl2NO4
Molecular Weight:
274.0570
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Product Description
Catalog Number:
AG007BI1
Chemical Name:
2H-Isoindole-2-aceticacid, 5,6-dichloro-1,3-dihydro-1,3-dioxo-
CAS Number:
111104-25-7
Molecular Formula:
C10H5Cl2NO4
Molecular Weight:
274.0570
MDL Number:
MFCD02189143
IUPAC Name:
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid
InChI:
InChI=1S/C10H5Cl2NO4/c11-6-1-4-5(2-7(6)12)10(17)13(9(4)16)3-8(14)15/h1-2H,3H2,(H,14,15)
InChI Key:
LHYSAUZLKMKURN-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)c2c(C1=O)cc(c(c2)Cl)Cl
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.96g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.053g/mol
Monoisotopic Mass:
272.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties