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1681-15-8 | 9H-Purine, 2-chloro-
CAS No: 1681-15-8 Catalog No: AG001XTE MDL No:MFCD00194007
Product Description
Catalog Number:
AG001XTE
Chemical Name:
9H-Purine, 2-chloro-
CAS Number:
1681-15-8
Molecular Formula:
C5H3ClN4
Molecular Weight:
154.5571
MDL Number:
MFCD00194007
IUPAC Name:
2-chloro-7H-purine
InChI:
InChI=1S/C5H3ClN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)
InChI Key:
JBMBVWROWJGFMG-UHFFFAOYSA-N
SMILES:
Clc1nc2[nH]cnc2cn1
NSC Number:
17111
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.557g/mol
Monoisotopic Mass:
154.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Efficient syntheses of 2-chloro-2'-deoxyadenosine (cladribine) from 2'-deoxyguanosine(1). | The Journal of organic chemistry 20030207 |
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