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149488-93-7 | Benzeneethanamine, 2-chloro-6-fluoro-
CAS No: 149488-93-7 Catalog No: AG001LQW MDL No:MFCD00052682
Product Description
Catalog Number:
AG001LQW
Chemical Name:
Benzeneethanamine, 2-chloro-6-fluoro-
CAS Number:
149488-93-7
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD00052682
IUPAC Name:
2-(2-chloro-6-fluorophenyl)ethanamine
InChI:
InChI=1S/C8H9ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4-5,11H2
InChI Key:
NNEMMAAHBKHXLP-UHFFFAOYSA-N
SMILES:
NCCc1c(F)cccc1Cl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.615g/mol
Monoisotopic Mass:
173.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. | Bioorganic & medicinal chemistry 20080801 |
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