AG003JGJ

660416-36-4 | 3-Fluoro-5-(methoxycarbonyl)benzoic Acid

AG003JGJ

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CAS Number	660416-36-4
Catalog Number	AG003JGJ(AGN-PC-04Q5RD)
Chemical Name	3-Fluoro-5-(methoxycarbonyl)benzoic Acid
IUPAC Name	3-fluoro-5-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)
InChI Key	SFUQWJIUIYAPDJ-UHFFFAOYSA-N
MDL Number	MFCD08458981
Molecular Formula	C9H7FO4
Molecular Weight	198.1479
SMILES	O=C(O)C1=CC(C(OC)=O)=CC(F)=C1
Synonyms	3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID, 660416-36-4, 5-FLUOROISOPHTHALIC ACID MONOMETHYL ESTER, SCHEMBL1544732, CTK5C3405, KS-00000CWT, DTXSID10646574, SFUQWJIUIYAPDJ-UHFFFAOYSA-N, 5881AJ, MFCD08458981, ZINC14984997, 3-fluoro-5-methoxycarbonylbenzoic acid, AKOS006290725, AB45663, 5-Fluoroisophthalic acid monomethylester, 3-Fluoro-5-(methoxycarbonyl)benzoicAcid, CS-11604, SY026333, 5-fluoro-isophthalic acid monomethyl ester, FT-0745259, MFCD08458981 (95%), W-2944, C9H7FO4, 3-Ethylmorpholine-3-carboxylic Acid,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.033g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.149g/mol
Monoisotopic Mass	198.033g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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