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

6-chloro-8,9-dihydro-7H-purin-8-one

CAS No.:
37527-48-3
Catalog Number:
AG01DZA7
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
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Product Description
Catalog Number:
AG01DZA7
Chemical Name:
6-chloro-8,9-dihydro-7H-purin-8-one
CAS Number:
37527-48-3
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
MDL Number:
MFCD12755941
IUPAC Name:
6-chloro-7,9-dihydropurin-8-one
InChI:
InChI=1S/C5H3ClN4O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H2,7,8,9,10,11)
InChI Key:
DCOLIWSXJIHGOF-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)ncnc2Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.556g/mol
Monoisotopic Mass:
170g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties