Product Name
8-Chlorotheophylline
Category
Heterocyclic Organic Compound
Synonyms
1,3-Dimethyl-8-chloroxanthine
Molecular Formula
C7H7ClN4O2
InChI
InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChI Key
RYIGNEOBDRVTHA-UHFFFAOYSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Monoisotopic Mass
214.0257532
Topological Polar Surface Area
69.3 Ų