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150517-77-4 | Benzenemethanamine, 3-fluoro-5-(trifluoromethyl)-
CAS No: 150517-77-4 Catalog No: AG001MO0 MDL No:MFCD00061163
Product Description
Catalog Number:
AG001MO0
Chemical Name:
Benzenemethanamine, 3-fluoro-5-(trifluoromethyl)-
CAS Number:
150517-77-4
Molecular Formula:
C8H7F4N
Molecular Weight:
193.1415
MDL Number:
MFCD00061163
IUPAC Name:
[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2
InChI Key:
ADHUUMWSWNPEMZ-UHFFFAOYSA-N
SMILES:
NCc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.145g/mol
Monoisotopic Mass:
193.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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