AG008X8I

120512-59-6 | 4-Fluoro-3,5-dimethylbenzoic acid

AG008X8I

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CAS Number	120512-59-6
Catalog Number	AG008X8I(AGN-PC-0WAOFB)
Chemical Name	4-Fluoro-3,5-dimethylbenzoic acid
IUPAC Name	4-fluoro-3,5-dimethylbenzoic acid
InChI	InChI=1S/C9H9FO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key	MIKQQYBBVDHPST-UHFFFAOYSA-N
MDL Number	MFCD00184969
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	O=C(O)C1=CC(C)=C(F)C(C)=C1
Synonyms	4-Fluoro-3,5-dimethylbenzoic acid, 120512-59-6, SCHEMBL7827636, CTK7I6670, MIKQQYBBVDHPST-UHFFFAOYSA-N, JRD-1866, MFCD00184969, SBB088159, ZINC12359262, AKOS010017191, JS-4458, MCULE-4757589126, NE19276, Benzoic acid, 4-fluoro-3,5-dimethyl-, AJ-61435, EN300-45418, Z1258992718,

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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number