AG0026AD

178747-79-0 | Benzoic acid, 2-fluoro-6-methoxy-, methyl ester

AG0026AD

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CAS Number	178747-79-0
Catalog Number	AG0026AD(AGN-PC-0KKZHB)
Chemical Name	Benzoic acid, 2-fluoro-6-methoxy-, methyl ester
IUPAC Name	methyl 2-fluoro-6-methoxybenzoate
InChI	InChI=1S/C9H9FO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChI Key	WOKPPDUGASITJX-UHFFFAOYSA-N
MDL Number	MFCD03788537
Molecular Formula	C9H9FO3
Molecular Weight	184.1644
SMILES	O=C(OC)C1=C(OC)C=CC=C1F
Synonyms	methyl 2-fluoro-6-methoxybenzoate, 178747-79-0, 2-fluoro-6-methoxybenzoic acid methyl ester, Benzoic acid, 2-fluoro-6-methoxy-, methyl ester, MFCD03788537, AC1MCV9I, SCHEMBL3116291, CTK4D6882, KS-00003KPP, DTXSID60381382, WOKPPDUGASITJX-UHFFFAOYSA-N, ZINC2510741, SBB090145, AKOS005257851, CM12747, FS-2353, AJ-36491, DB-010433, FT-0729036, Z1816, 2-fluoro-6-methoxy-benzoic acid methyl ester, L-1132, Benzoic acid,2-fluoro-6-methoxy-, methyl ester, C9H9FO3, Methyl 2-fluoro-6-methoxy-benzoate, CID2779314,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.166g/mol
Monoisotopic Mass	184.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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