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886498-13-1 | 2-Fluoro-5-(Trifluoromethoxy)Benzylamine
CAS No: 886498-13-1 Catalog No: AG003B83 MDL No:MFCD04115895
Product Description
Catalog Number:
AG003B83
Chemical Name:
2-Fluoro-5-(Trifluoromethoxy)Benzylamine
CAS Number:
886498-13-1
Molecular Formula:
C8H7F4NO
Molecular Weight:
209.1409
MDL Number:
MFCD04115895
IUPAC Name:
[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine
InChI:
InChI=1S/C8H7F4NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H,4,13H2
InChI Key:
MBNLPGBRZXRZOM-UHFFFAOYSA-N
SMILES:
NCc1cc(ccc1F)OC(F)(F)F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.144g/mol
Monoisotopic Mass:
209.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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