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123973-25-1 | Benzenamine, 2-fluoro-3-(trifluoromethyl)-
CAS No: 123973-25-1 Catalog No: AG000LAO MDL No:MFCD00061241
Product Description
Catalog Number:
AG000LAO
Chemical Name:
Benzenamine, 2-fluoro-3-(trifluoromethyl)-
CAS Number:
123973-25-1
Molecular Formula:
C7H5F4N
Molecular Weight:
179.1149
MDL Number:
MFCD00061241
IUPAC Name:
2-fluoro-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F4N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2
InChI Key:
YKPDYPPZLUZONK-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1F)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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