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Home > Fluorides > 1397194-50-1
1397194-50-1 | Benzeneethanimidamide, 4-fluoro-3-(trifluoromethyl)-
CAS No: 1397194-50-1 Catalog No: AG001BKA MDL No:
Product Description
Catalog Number:
AG001BKA
Chemical Name:
Benzeneethanimidamide, 4-fluoro-3-(trifluoromethyl)-
CAS Number:
1397194-50-1
Molecular Formula:
C9H8F4N2
Molecular Weight:
220.1668
IUPAC Name:
2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanimidamide
InChI:
InChI=1S/C9H8F4N2/c10-7-2-1-5(4-8(14)15)3-6(7)9(11,12)13/h1-3H,4H2,(H3,14,15)
InChI Key:
GJUGCBMWZKOBIW-UHFFFAOYSA-N
SMILES:
NC(=N)Cc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.171g/mol
Monoisotopic Mass:
220.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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