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89284-33-3 | 3H-Purin-6-amine, 2-chloro-, 1-oxide
CAS No: 89284-33-3 Catalog No: AG0040ZR MDL No:
Product Description
Catalog Number:
AG0040ZR
Chemical Name:
3H-Purin-6-amine, 2-chloro-, 1-oxide
CAS Number:
89284-33-3
Molecular Formula:
C5H4ClN5O
Molecular Weight:
185.5712
IUPAC Name:
2-chloro-1-hydroxy-7H-purin-6-imine
InChI:
InChI=1S/C5H4ClN5O/c6-5-10-4-2(8-1-9-4)3(7)11(5)12/h1,7,12H,(H,8,9)
InChI Key:
LSOPHRQIVBARQO-UHFFFAOYSA-N
SMILES:
Clc1[nH]c2ncnc2c([n+]1[O-])N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.571g/mol
Monoisotopic Mass:
185.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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