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69409-98-9 | 2-Fluoro-4-(trifluoromethyl);aniline
CAS No: 69409-98-9 Catalog No: AG003B7Y MDL No:MFCD01631629
Product Description
Catalog Number:
AG003B7Y
Chemical Name:
2-Fluoro-4-(trifluoromethyl);aniline
CAS Number:
69409-98-9
Molecular Formula:
C7H5F4N
Molecular Weight:
179.1149
MDL Number:
MFCD01631629
IUPAC Name:
2-fluoro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F4N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChI Key:
ARHDUOQIXLGANT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1F)C(F)(F)F
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.118g/mol
Monoisotopic Mass:
179.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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