Home Halogens 8H-Purin-8-one, 6-chloro-7,9-dihydro-7-methyl-

8H-Purin-8-one, 6-chloro-7,9-dihydro-7-methyl-

CAS No.:
1226804-17-6
Catalog Number:
AG0017MC
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
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Product Description
Catalog Number:
AG0017MC
Chemical Name:
8H-Purin-8-one, 6-chloro-7,9-dihydro-7-methyl-
CAS Number:
1226804-17-6
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
MDL Number:
MFCD24615587
IUPAC Name:
6-chloro-7-methyl-9H-purin-8-one
InChI:
InChI=1S/C6H5ClN4O/c1-11-3-4(7)8-2-9-5(3)10-6(11)12/h2H,1H3,(H,8,9,10,12)
InChI Key:
LBJNNYQNAUVPGR-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1n(C)c(=O)[nH]2
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.583g/mol
Monoisotopic Mass:
184.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties