(R)-(-)-4-Chloromandelic acid CAS NO.32189-36-9

Keyuan Chemical Co., Ltd. specialized in the production for pigments, pharmaceuticals and other fine chemical intermediates, is one of Medium-sized chemical enterprises which integrates research, development and production. Its main products are including L-Serine (CAS NO.: 56-45-1) and so on

1. Introduction of (R)-(-)-4-Chloromandelic acid

The (R)-(-)-4-Chloromandelic acid, with its CAS NO 32189-36-9, is a kind of powder. It has synonyms of Benzeneaceticacid, 4-chloro-a-hydroxy-,(R)-;Mandelic acid, p-chloro-, (R)-(-)- (8CI);(-)-4-Chloromandelic acid;(-)-p-Chloromandelic acid;(2R)-2-(4-Chlorophenyl)-2-hydroxyacetic acid;(R)-(4-Chlorophenyl)(hydroxy)ethanoic acid;(R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid (R)-4-Chloromandelic acid.
 

2. Properties of (R)-(-)-4-Chloromandelic acid

(1) XLogP3 1.2  (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 164 
(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 4

3. Structure descriptors of (R)-(-)-4-Chloromandelic acid

IUPAC Name: (2R)-2-(4-chlorophenyl)-2-hydroxyacetic acid

InChI: InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,
12)/t7-/m1/s1

InChIKey: BWSFWXSSALIZAU-SSDOTTSWSA-N

Canonical SMILES : C1=CC(=CC=C1C(C(=O)O)O)ClIsomeric SMILES: C1=CC(=CC=C1[C@H](C(=O)O)O)Cl