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1391540-47-8 | Benzenemethanamine, α-methyl-4-(trifluoromethoxy)-, hydrochloride (1:1), (αS)-
CAS No: 1391540-47-8 Catalog No: AG001AF3 MDL No:MFCD12757222
Product Description
Catalog Number:
AG001AF3
Chemical Name:
Benzenemethanamine, α-methyl-4-(trifluoromethoxy)-, hydrochloride (1:1), (αS)-
CAS Number:
1391540-47-8
Molecular Formula:
C9H11ClF3NO
Molecular Weight:
241.6379
MDL Number:
MFCD12757222
IUPAC Name:
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H10F3NO.ClH/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m0./s1
InChI Key:
CRAQSXJYHZMDFP-RGMNGODLSA-N
SMILES:
C[C@@H](c1ccc(cc1)OC(F)(F)F)N.Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
241.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.638g/mol
Monoisotopic Mass:
241.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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