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1250116-04-1 | N2-(2,2,2-Trifluoroethyl)pyrimidine-2,5-diamine
CAS No: 1250116-04-1 Catalog No: AG01F9S2 MDL No:
Product Description
Catalog Number:
AG01F9S2
Chemical Name:
N2-(2,2,2-Trifluoroethyl)pyrimidine-2,5-diamine
CAS Number:
1250116-04-1
Molecular Formula:
C6H7F3N4
Molecular Weight:
192.1418
IUPAC Name:
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,5-diamine
InChI:
InChI=1S/C6H7F3N4/c7-6(8,9)3-13-5-11-1-4(10)2-12-5/h1-2H,3,10H2,(H,11,12,13)
InChI Key:
DNKJGXYIUDKWAV-UHFFFAOYSA-N
SMILES:
FC(CNc1ncc(cn1)N)(F)F
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.145g/mol
Monoisotopic Mass:
192.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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