Home Other Building Blocks 2-CF3-1H-PURIN-6-AMINE

2-CF3-1H-PURIN-6-AMINE

CAS No.:
2993-06-8
Catalog Number:
AG01EJCT
Molecular Formula:
C6H4F3N5
Molecular Weight:
203.1247
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Product Description
Catalog Number:
AG01EJCT
Chemical Name:
2-CF3-1H-PURIN-6-AMINE
CAS Number:
2993-06-8
Molecular Formula:
C6H4F3N5
Molecular Weight:
203.1247
MDL Number:
MFCD17212478
IUPAC Name:
2-(trifluoromethyl)-7H-purin-6-amine
InChI:
InChI=1S/C6H4F3N5/c7-6(8,9)5-13-3(10)2-4(14-5)12-1-11-2/h1H,(H3,10,11,12,13,14)
InChI Key:
JPFOYYRMIMSYQZ-UHFFFAOYSA-N
SMILES:
Nc1nc(nc2c1[nH]cn2)C(F)(F)F
NSC Number:
518375
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.128g/mol
Monoisotopic Mass:
203.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties