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2346-74-9 | 9H-Purine, 6-chloro-9-methyl-
CAS No: 2346-74-9 Catalog No: AG002NC8 MDL No:MFCD00127840
Product Description
Catalog Number:
AG002NC8
Chemical Name:
9H-Purine, 6-chloro-9-methyl-
CAS Number:
2346-74-9
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
MDL Number:
MFCD00127840
IUPAC Name:
6-chloro-9-methylpurine
InChI:
InChI=1S/C6H5ClN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3
InChI Key:
UEZNSCCMEMUEMO-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1ncn2C
NSC Number:
4948
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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