4-Chloromandelic acid, 4-Chloromandelic acid supply, high quality 4-Chloromandelic acid 492-86-4, 4-Chloromandelic acid price CAS NO.492-86-4

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1. Introduction of 4-Chloromandelic acid

The 4-Chloromandelic acid, with its CAS NO 492-86-4, is a kind of white crystalline powder. It has synonyms of Mandelicacid, p-chloro- (6CI,7CI,8CI);(4-Chlorophenyl)(hydroxy)acetic acid;(p-Chlorophenyl)hydroxyacetic acid;2-(4-Chlorophenyl)-2-(hydroxy)acetic acid;2-Hydroxy-2-(4-chlorophenyl)aceticacid;4-Chloro-DL-mandelic acid;DL-4-Chloromandelicacid;DL-p-Chloromandelic acid;NSC 31400 NSC 8112.

2. Properties of 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) Undefined 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 4-Chloromandelic acid

IUPAC Name: 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)

InChIKey: BWSFWXSSALIZAU-UHFFFAOYSA-N

Canonical SMILES : C1=CC(=CC=C1C(C(=O)O)O)Cl