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30508-78-2 | 1,3,5-Triazine-2,4-diamine, 6-[3-(trifluoromethyl)phenyl]-
CAS No: 30508-78-2 Catalog No: AG0030E1 MDL No:MFCD00268708
Product Description
Catalog Number:
AG0030E1
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-[3-(trifluoromethyl)phenyl]-
CAS Number:
30508-78-2
Molecular Formula:
C10H8F3N5
Molecular Weight:
255.1992
MDL Number:
MFCD00268708
IUPAC Name:
6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
InChI Key:
YMIFDDZCSSDQHL-UHFFFAOYSA-N
SMILES:
Nc1nc(N)nc(n1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.204g/mol
Monoisotopic Mass:
255.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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