(S)-2-Chloromandelic acid, High Purity (S)-2-Chloromandelic acid,52950-19-3 ,(S)-2-Chloromandelic acid buy, (S)-2-Chloromandelic acid price CAS NO.52950-19-3

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1. Introduction of (S)-2-Chloromandelic acid

The (S)-2-Chloromandelic acid, with its CAS NO 52950-19-3, is a kind of white to light yellow crystal powder. It has synonyms of Benzeneaceticacid, 2-chloro-a-hydroxy-,(S)-;(S)-(+)-2-Hydroxy-2-(2-chlorophenyl)acetic acid;(S)-2-(2-Chlorophenyl)-2-hydroxyethanoicacid (S)-o-Chloromandelic acid.

 

2. Properties of (S)-2-Chloromandelic acid

(1) XLogP3-AA 1.5  (2) H-Bond Don2  (3) H-Bond Accept3
(4) Rotatable Bond Count 2  (5) Exact Mass 186.008372  (6) MonoIsotopic Mass 186.008372
(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 9
 

3. Structure descriptors of (S)-2-Chloromandelic acid

IUPAC Name: (2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid

InChI: InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,
12)/t7-/m0/s1

InChIKey: RWOLDZZTBNYTMS-ZETCQYMHSA-N

Canonical SMILES : C1=CC=C(C(=C1)C(C(=O)O)O)ClIsomeric SMILES: C1=CC=C(C(=C1)[C@@H](C(=O)O)O)Cl