2-Chloro-6-methylbenzoic acid, 2-Chloro-6-methylbenzoic acid price, 21327-86-6 supplier,2-Chloro-6-methylbenzoic acid buy CAS NO.21327-86-6

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1. Introduction of 2-Chloro-6-methylbenzoic acid

The 2-Chloro-6-methylbenzoic acid, with its CAS NO 21327-86-6, is a kind of yellowish powder. It has synonyms of o-Toluicacid, 6-chloro- (6CI,7CI,8CI) 2-Chloro-6-methylbenzoic acid;o-Toluic acid, 6-chloro-. 2-Chloro-6-methylbenzoic acid should be stored in shady cool warehouse.

2. Properties of 2-Chloro-6-methylbenzoic acid

(1) XLogP3 2.3 (2) H-Bond Don1 (3) H-Bond Accept2
(4) Rotatable Bond Count 1 (5) Exact Mass 170.013457 (6) MonoIsotopic Mass 170.013457
(7) Topological Polar Surface Area 37.3 (8) Heavy Atom Count 11 (9) Complexity 158 
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D AcceptCount 2
(12) Feature 3D Anion Count 1 (13) Feature 3D Ring Count 1 (14) Effective RotCount 1
(15) Conformer Sampling RMSD 0.4 (16) CID Conformer Count 1

3. Structure descriptors of 2-Chloro-6-methylbenzoic acid

IUPAC Name: 2-chloro-6-methylbenzoic acid

InChI: InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey: CEFMMQYDPGCYMG-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C(=CC=C1)Cl)C(=O)O