3,4-Difluoromandelic acid, 3,4-Difluoromandelic acid the best price, high purity 3,4-Difluoromandelic acid, 3,4-Difluoromandelic acid buy CAS NO.132741-29-8

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1. Introduction of 3,4-Difluoromandelic acid

The 3,4-Difluoromandelic acid, with its CAS NO 132741-29-8, is a kind of powder. It has synonyms of (3,4-Difluorophenyl)(hydroxy)aceticacid. 3,4-Difluoromandelic acid should be stored in shady cool warehouse.
 

2. Properties of 3,4-Difluoromandelic acid

(1) XLogP3-AA 1  (2) H-Bond Don2  (3) H-Bond Accept5
(4) Rotatable Bond Count 2  (5) Exact Mass 188.0285  (6) MonoIsotopic Mass 188.0285
(7) Topological Polar Surface Area 57.5 (8) Heavy Atom Count 13 (9) Complexity 198 
(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 9

3. Structure descriptors of 3,4-Difluoromandelic acid

IUPAC Name: 2-(3,4-difluorophenyl)-2-hydroxyacetic acid

InChI: InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)

InChIKey: BKHXODARAOCNDJ-UHFFFAOYSA-N

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