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High Purity (S)-2-Chloromandelic acid,52950-19-3 (S)-2-Chloromandelic acid buy (S)-2-Chloromandelic acid price
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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
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