Home Amines 1000922-53-1
1000922-53-1,MFCD06761973
Catalog No.:AA0000SY
Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, (αS)- | 1000922-53-1
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250mg
97%
in stock  
$200.00
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1g
97%
in stock  
$500.00
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5g
97%
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$1,500.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000SY
Chemical Name:
Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, (αS)-
CAS Number:
1000922-53-1
Molecular Formula:
C8H9ClFN
Molecular Weight:
173.6152
MDL Number:
MFCD06761973
IUPAC Name:
(1S)-1-(2-chloro-6-fluorophenyl)ethanamine
InChI:
InChI=1S/C8H9ClFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3/t5-/m0/s1
InChI Key:
WLQXZWHHERXWHA-YFKPBYRVSA-N
SMILES:
C[C@@H](c1c(F)cccc1Cl)N
Properties
Computed Properties
 
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
(S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE 
1000922-53-1 
(1S)-1-(2-chloro-6-fluorophenyl)ethylamine 
(1S)-1-(2-chloro-6-fluoro-phenyl)ethanamine 
(1S)-1-(2-chloro-6-fluorophenyl)ethan-1-amine 
I01-6057 
J-502342 
Benzenemethanamine, 2-chloro-6-fluoro-alpha-methyl-, (alphaS)- 
(S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE HCl 
Benzenemethanamine, 2-chloro-6-fluoro-a-methyl-, (aS)- 
SCHEMBL3775108 
CTK8E1953 
ZINC39952106 
AKOS006293659 
AKOS015840053 
AJ-101146 
TC-066088 
FT-0652552 
Literature
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