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231291-14-8 | Benzenemethanamine, 5-fluoro-2-(trifluoromethyl)-
CAS No: 231291-14-8 Catalog No: AG002M9W MDL No:MFCD00236288
Product Description
Catalog Number:
AG002M9W
Chemical Name:
Benzenemethanamine, 5-fluoro-2-(trifluoromethyl)-
CAS Number:
231291-14-8
Molecular Formula:
C8H7F4N
Molecular Weight:
193.1415
MDL Number:
MFCD00236288
IUPAC Name:
[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H,4,13H2
InChI Key:
ZRDWPCJUMDGSCG-UHFFFAOYSA-N
SMILES:
NCc1cc(F)ccc1C(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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