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1307190-72-2 | N2-[2-(Trifluoromethyl)phenyl]pyrimidine-2,5-diamine
CAS No: 1307190-72-2 Catalog No: AG01F8GO MDL No:
Product Description
Catalog Number:
AG01F8GO
Chemical Name:
N2-[2-(Trifluoromethyl)phenyl]pyrimidine-2,5-diamine
CAS Number:
1307190-72-2
Molecular Formula:
C11H9F3N4
Molecular Weight:
254.2112
IUPAC Name:
2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,5-diamine
InChI:
InChI=1S/C11H9F3N4/c12-11(13,14)8-3-1-2-4-9(8)18-10-16-5-7(15)6-17-10/h1-6H,15H2,(H,16,17,18)
InChI Key:
WMONYJWTGPZHSV-UHFFFAOYSA-N
SMILES:
Nc1cnc(nc1)Nc1ccccc1C(F)(F)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.216g/mol
Monoisotopic Mass:
254.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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