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287394-20-1 | Benzeneethanol, β-amino-4-(trifluoromethyl)-, (βS)-
CAS No: 287394-20-1 Catalog No: AG002WAZ MDL No:MFCD09253774
Product Description
Catalog Number:
AG002WAZ
Chemical Name:
Benzeneethanol, β-amino-4-(trifluoromethyl)-, (βS)-
CAS Number:
287394-20-1
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD09253774
IUPAC Name:
(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-6(2-4-7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1
InChI Key:
VDJAPRZLEXCFHF-MRVPVSSYSA-N
SMILES:
OC[C@H](c1ccc(cc1)C(F)(F)F)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.18g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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