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26248-98-6 | Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, dichlorotetrahydro-
CAS No: 26248-98-6 Catalog No: AG002SFW MDL No:
Product Description
Catalog Number:
AG002SFW
Chemical Name:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, dichlorotetrahydro-
CAS Number:
26248-98-6
Molecular Formula:
C4H4Cl2N4O2
Molecular Weight:
211.0062
IUPAC Name:
4,6-dichloro-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C4H4Cl2N4O2/c5-9-1-2(8-3(11)7-1)10(6)4(9)12/h1-2H,(H2,7,8,11)
InChI Key:
JSWHIHQUAYRMHD-UHFFFAOYSA-N
SMILES:
O=C1NC2(C(N1)(Cl)NC(=O)N2)Cl
EC Number:
247-542-6
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.002g/mol
Monoisotopic Mass:
209.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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