Home Halogens 2-chloro-7-methyl-7H-purin-8(9H)-one

2-chloro-7-methyl-7H-purin-8(9H)-one

CAS No.:
1273315-19-7
Catalog Number:
AG009J95
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
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Product Description
Catalog Number:
AG009J95
Chemical Name:
2-chloro-7-methyl-7H-purin-8(9H)-one
CAS Number:
1273315-19-7
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
MDL Number:
MFCD24620878
IUPAC Name:
2-chloro-7-methyl-9H-purin-8-one
InChI:
InChI=1S/C6H5ClN4O/c1-11-3-2-8-5(7)9-4(3)10-6(11)12/h2H,1H3,(H,8,9,10,12)
InChI Key:
CPAAEGXEHWCCPD-UHFFFAOYSA-N
SMILES:
Cn1c2cnc(nc2[nH]c1=O)Cl
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