AG001WN5

16633-50-4 | Benzoic acid, 4-fluoro-2,6-dimethyl-

AG001WN5

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CAS Number	16633-50-4
Catalog Number	AG001WN5(AGN-PC-0M90YC)
Chemical Name	Benzoic acid, 4-fluoro-2,6-dimethyl-
IUPAC Name	4-fluoro-2,6-dimethylbenzoic acid
InChI	InChI=1S/C9H9FO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	PQYFAAZGSGZNGG-UHFFFAOYSA-N
MDL Number	MFCD22054926
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(O)C1=C(C)C=C(F)C=C1C
Synonyms	2,6-DIMETHYL-4-FLUOROBENZOIC ACID, 16633-50-4, 4-fluoro-2,6-dimethylbenzoic acid, 2,6-dimethyl-4-fluorobenzoicacid, PubChem4955, AC1P1XOY, Intermediates-ZCF02248, AE-562/43286943, 2-Carboxy-5-fluoro-m-xylene, SCHEMBL421459, CTK7I6166, DTXSID80429093, ACT00496, KS-00000HR5, ZINC7023210, 4-Fluoro-2,6-dimethyl-benzoic acid, ANW-47485, Benzoicacid,4-fluoro-2,6-dimethyl-, CL8014, FC1069, MFCD06208279, SBB052823, AKOS006344016, AM83989, CM12704, FS-2681, Benzoic acid, 4-fluoro-2,6-dimethyl-, AJ-57073, AK-33599, BC658797, BR-33599, SC-45819, AB0022700, DB-010914, TC-136230, BENZOIC ACID,4-FLUORO-2,6-DIMETHYL, FT-0081469, FT-0651153, ST24027379, W3618, A11570, S-6550, 633D504, Z1741972881, C9H9FO2, CID8167074,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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