Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)-, Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)- 99% min,Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)- suppliers, 32222-48-3 buy CAS NO.32222-48-3

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1. Introduction of Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)-

The Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)-, with its CAS NO 32222-48-3, is a kind of powder. It has synonyms of Benzeneaceticacid, 2-fluoro-a-hydroxy-,(R)-; Mandelic acid, o-fluoro-, (R)-(-)- (8CI); (R)-(-)-Ortho-Fluoromandelicacid (R)-2-Fluoromandelic acid.

 

2. Properties of Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)-

(1) XLogP3-AA 0.9  (2) H-Bond Don2  (3) H-Bond Accept4
(4) Rotatable Bond Count 2  (5) Exact Mass 170.037922  (6) MonoIsotopic Mass 170.037922
(7) Topological Polar Surface Area 57.5  (8) Heavy Atom Count 12  (9) Complexity 172 
(10) Defined Atom Stereocenter Count 1 (11) Covalently-Bonded Unit Count 1  (12) Feature 3D AcceptCount 3
(13) Feature 3D DonCount 1  (14) Feature 3D Anion Count 1  (15) Feature 3D Ring Count 1
(16) Effective RotCount 2  (17) Conformer Sampling RMSD 0.6  (18) CID Conformer Count 10
 

3. Structure descriptors of Benzeneacetic acid,2-fluoro-a-hydroxy-, (aR)-

IUPAC Name: (2R)-2-(2-fluorophenyl)-2-hydroxyacetic acid

InChI: InChI=1S/C8H7FO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,
12)/t7-/m1/s1

InChIKey: WWSRHIZZWWDONI-SSDOTTSWSA-N

Canonical SMILES : C1=CC=C(C(=C1)C(C(=O)O)O)FIsomeric SMILES: C1=CC=C(C(=C1)[C@H](C(=O)O)O)F