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147699-62-5 | 1,2-Benzenedicarboxamide, 4,5-dichloro-
CAS No: 147699-62-5 Catalog No: AG001F3N MDL No:MFCD00192012
Product Description
Catalog Number:
AG001F3N
Chemical Name:
1,2-Benzenedicarboxamide, 4,5-dichloro-
CAS Number:
147699-62-5
Molecular Formula:
C8H6Cl2N2O2
Molecular Weight:
233.0514
MDL Number:
MFCD00192012
IUPAC Name:
4,5-dichlorobenzene-1,2-dicarboxamide
InChI:
InChI=1S/C8H6Cl2N2O2/c9-5-1-3(7(11)13)4(8(12)14)2-6(5)10/h1-2H,(H2,11,13)(H2,12,14)
InChI Key:
KGIXKEAUEDTQOE-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(Cl)c(cc1C(=O)N)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.048g/mol
Monoisotopic Mass:
231.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists. | Journal of medicinal chemistry 20081009 |
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