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1. Introduction of 2-Bromo-6-methylbenzoic acid
The 2-Bromo-6-methylbenzoic acid, with its CAS NO 90259-31-7. is a kind of powder. It has synonyms of o-Toluicacid, 6-bromo- (6CI) Benzoic acid,2-bromo-6-methyl-. 2-Bromo-6-methylbenzoic acid should be stored in shady cool warehouse.
2. Properties of 2-Bromo-6-methylbenzoic acid
(1) XLogP3 2.4 (2) H-Bond Don1 (3) H-Bond Accept2
(4) Rotatable Bond Count 1 (5) Exact Mass 213.962942 (6) MonoIsotopic Mass 213.962942
(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 Hydrophobe Count 1 (14) Feature 3D Ring Count 1 (15) Effective RotCount 1
(16) Conformer Sampling RMSD 0.4 (17) CID Conformer Count 1
3. Structure descriptors of 2-Bromo-6-methylbenzoic acid
IUPAC Name: 2-bromo-6-methylbenzoic acid
InChI: InChI=1S/C8H7BrO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: ICXBPDJQFPIBSS-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=CC=C1)Br)C(=O)O
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