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10179-89-2 | 9H-Purin-2-amine, 8-(trifluoromethyl)-
CAS No: 10179-89-2 Catalog No: AG0005KW MDL No:MFCD08275968
Product Description
Catalog Number:
AG0005KW
Chemical Name:
9H-Purin-2-amine, 8-(trifluoromethyl)-
CAS Number:
10179-89-2
Molecular Formula:
C6H4F3N5
Molecular Weight:
203.1247
MDL Number:
MFCD08275968
IUPAC Name:
8-(trifluoromethyl)-7H-purin-2-amine
InChI:
InChI=1S/C6H4F3N5/c7-6(8,9)4-12-2-1-11-5(10)14-3(2)13-4/h1H,(H3,10,11,12,13,14)
InChI Key:
CILXVNCPCQCZEL-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)[nH]c(n2)C(F)(F)F
NSC Number:
528624
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
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