Home Halogens 9H-Purine, 2-chloro-6-(trifluoromethyl)-

9H-Purine, 2-chloro-6-(trifluoromethyl)-

CAS No.:
1998-64-7
Catalog Number:
AG002CCN
Molecular Formula:
C6H2ClF3N4
Molecular Weight:
222.5551
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Product Description
Catalog Number:
AG002CCN
Chemical Name:
9H-Purine, 2-chloro-6-(trifluoromethyl)-
CAS Number:
1998-64-7
Molecular Formula:
C6H2ClF3N4
Molecular Weight:
222.5551
MDL Number:
MFCD08436652
IUPAC Name:
2-chloro-6-(trifluoromethyl)-7H-purine
InChI:
InChI=1S/C6H2ClF3N4/c7-5-13-3(6(8,9)10)2-4(14-5)12-1-11-2/h1H,(H,11,12,13,14)
InChI Key:
LTDVDSQMYOWJEV-UHFFFAOYSA-N
SMILES:
Clc1nc(c2c(n1)[nH]cn2)C(F)(F)F
NSC Number:
57028
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.555g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties