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62039-92-3 | (4-Chloro-3-(trifluoromethyl)phenyl)methanamine
CAS No: 62039-92-3 Catalog No: AG003L4G MDL No:MFCD00190124
Product Description
Catalog Number:
AG003L4G
Chemical Name:
(4-Chloro-3-(trifluoromethyl)phenyl)methanamine
CAS Number:
62039-92-3
Molecular Formula:
C8H7ClF3N
Molecular Weight:
209.5961
MDL Number:
MFCD00190124
IUPAC Name:
[4-chloro-3-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChI Key:
SRHQOQMNBVOXCF-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.596g/mol
Monoisotopic Mass:
209.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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