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1000922-53-1 | Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, (αS)-
CAS No: 1000922-53-1 Catalog No: AG0000VQ MDL No:MFCD06761973
Product Description
Catalog Number:
AG0000VQ
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
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
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