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168644-93-7 | Benzenemethanamine, 2,4,5-trifluoro-
CAS No: 168644-93-7 Catalog No: AG001Y7C MDL No:MFCD00236316
Product Description
Catalog Number:
AG001Y7C
Chemical Name:
Benzenemethanamine, 2,4,5-trifluoro-
CAS Number:
168644-93-7
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
MDL Number:
MFCD00236316
IUPAC Name:
(2,4,5-trifluorophenyl)methanamine
InChI:
InChI=1S/C7H6F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H,3,11H2
InChI Key:
BLJQJQNRXILVTA-UHFFFAOYSA-N
SMILES:
NCc1cc(F)c(cc1F)F
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.127g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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