AG0058L9

79474-35-4 | 2-Fluoro-4,5-dimethoxybenzoic acid

AG0058L9

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CAS Number	79474-35-4
Catalog Number	AG0058L9(AGN-PC-0JTPSN)
Chemical Name	2-Fluoro-4,5-dimethoxybenzoic acid
IUPAC Name	2-fluoro-4,5-dimethoxybenzoic acid
InChI	InChI=1S/C9H9FO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key	DFGPPMUENMUUDV-UHFFFAOYSA-N
MDL Number	MFCD06208568
Molecular Formula	C9H9FO4
Molecular Weight	200.1638
SMILES	c1(c(cc(c(c1)OC)OC)F)C(=O)O
Synonyms	2-Fluoro-4,5-dimethoxybenzoic acid, 79474-35-4, Benzoic acid, 2-fluoro-4,5-dimethoxy-, DFGPPMUENMUUDV-UHFFFAOYSA-N, 2-Fluoro-4,5-dimethoxy-benzoic acid, AC1LCX6U, SCHEMBL1766160, CTK8C2180, KS-00000QKM, DTXSID70345955, 2423AC, ANW-67947, MFCD06208568, ZINC32234800, AKOS012163220, 2-Fluoro-4,5-dimethoxybenzoic acid #, MCULE-3887327419, NE29467, RP25770, AJ-85127, AK-80936, DS-16073, TC-156692, 4CH-021828, ST24040590, Z-8872, Z1416200910, InChI=1/C9H9FO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12, C9H9FO4, 2-Fluoro-4,5-dimethoxybenzoicacid, CID608285,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.048g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.165g/mol
Monoisotopic Mass	200.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number