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127733-46-4 | Benzenemethanamine, α-methyl-2-(trifluoromethyl)-, (αR)-
CAS No: 127733-46-4 Catalog No: AG000XCS MDL No:MFCD03093002
Product Description
Catalog Number:
AG000XCS
Chemical Name:
Benzenemethanamine, α-methyl-2-(trifluoromethyl)-, (αR)-
CAS Number:
127733-46-4
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD03093002
IUPAC Name:
(1R)-1-[2-(trifluoromethyl)phenyl]ethanamine
InChI:
InChI=1S/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1
InChI Key:
DPLIMKBGTYIUCB-ZCFIWIBFSA-N
SMILES:
C[C@H](c1ccccc1C(F)(F)F)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.181g/mol
Monoisotopic Mass:
189.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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