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19765-60-7 | 9H-Purine, 6-chloro-, 3-oxide
CAS No: 19765-60-7 Catalog No: AG002AXW MDL No:
Product Description
Catalog Number:
AG002AXW
Chemical Name:
9H-Purine, 6-chloro-, 3-oxide
CAS Number:
19765-60-7
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
IUPAC Name:
6-chloro-3-hydroxypurine
InChI:
InChI=1S/C5H3ClN4O/c6-4-3-5(8-1-7-3)10(11)2-9-4/h1-2,11H
InChI Key:
JWYCHATUWSXPJR-UHFFFAOYSA-N
SMILES:
[O-][n+]1cnc(c2c1[nH]cn2)Cl
Properties
Complexity:
157
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.556g/mol
Monoisotopic Mass:
170g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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