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1198-46-5 | 9H-Purine, 2-chloro-6-methoxy-
CAS No: 1198-46-5 Catalog No: AG000PNU MDL No:MFCD20692004
Product Description
Catalog Number:
AG000PNU
Chemical Name:
9H-Purine, 2-chloro-6-methoxy-
CAS Number:
1198-46-5
Molecular Formula:
C6H5ClN4O
Molecular Weight:
184.5831
MDL Number:
MFCD20692004
IUPAC Name:
2-chloro-6-methoxy-7H-purine
InChI:
InChI=1S/C6H5ClN4O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H,8,9,10,11)
InChI Key:
MTDSMFYWSAISJR-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)nc2c1nc[nH]2
Properties
Complexity:
170
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.583g/mol
Monoisotopic Mass:
184.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| 6-Oxo and 6-thio purine analogs as antimycobacterial agents. | Bioorganic & medicinal chemistry 20130401 |
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