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127852-21-5 | Benzenemethanamine, α-methyl-3-(trifluoromethyl)-, (αS)-
CAS No: 127852-21-5 Catalog No: AG000XH1 MDL No:MFCD03093006
Product Description
Catalog Number:
AG000XH1
Chemical Name:
Benzenemethanamine, α-methyl-3-(trifluoromethyl)-, (αS)-
CAS Number:
127852-21-5
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD03093006
IUPAC Name:
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
InChI:
InChI=1S/C9H10F3N/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChI Key:
ODZXRBRYQGYVJY-LURJTMIESA-N
SMILES:
C[C@@H](c1cccc(c1)C(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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