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180587-74-0 | 9H-Purine-9-ethanol, 6-chloro-α-methyl-, (R)- (9CI)
CAS No: 180587-74-0 Catalog No: AG002246 MDL No:
Product Description
Catalog Number:
AG002246
Chemical Name:
9H-Purine-9-ethanol, 6-chloro-α-methyl-, (R)- (9CI)
CAS Number:
180587-74-0
Molecular Formula:
C8H9ClN4O
Molecular Weight:
212.6363
IUPAC Name:
(2R)-1-(6-chloropurin-9-yl)propan-2-ol
InChI:
InChI=1S/C8H9ClN4O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3/t5-/m1/s1
InChI Key:
LVNBNKMMTVWRJO-RXMQYKEDSA-N
SMILES:
C[C@H](Cn1cnc2c1ncnc2Cl)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.637g/mol
Monoisotopic Mass:
212.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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