AG00G2SF

773873-68-0 | Methyl 2,3,4-trifluorobenzoate

AG00G2SF

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CAS Number	773873-68-0
Catalog Number	AG00G2SF(AGN-PC-0KKNQ0)
Chemical Name	Methyl 2,3,4-trifluorobenzoate
IUPAC Name	methyl 2,3,4-trifluorobenzoate
InChI	InChI=1S/C8H5F3O2/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3H,1H3
InChI Key	JHPAOEXOUXURFL-UHFFFAOYSA-N
MDL Number	MFCD06201866
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	COC(=O)C1=C(C(=C(C=C1)F)F)F
Synonyms	methyl 2,3,4-trifluorobenzoate, 773873-68-0, AC1MC1YI, SCHEMBL382348, CTK6I9795, JHPAOEXOUXURFL-UHFFFAOYSA-N, ZINC4269245, AKOS006295490, MCULE-9124335015, NE13102, 2,3,4-trifluorobenzoic acid methyl ester, 2.3.4-Trifluoro-benzoic acid methyl ester, FT-0706223, Z1402024241, ZINC04269245, CID2760117,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P210-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code

Certificate of Analysis

Lot Number