AG001RDA

159768-50-0 | Benzoic acid, 4-fluoro-5-methoxy-2-nitro-, methyl ester

AG001RDA

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CAS Number	159768-50-0
Catalog Number	AG001RDA(AGN-PC-041Z4L)
Chemical Name	Benzoic acid, 4-fluoro-5-methoxy-2-nitro-, methyl ester
IUPAC Name	methyl 4-fluoro-5-methoxy-2-nitrobenzoate
InChI	InChI=1S/C9H8FNO5/c1-15-8-3-5(9(12)16-2)7(11(13)14)4-6(8)10/h3-4H,1-2H3
InChI Key	QLBGQKDRKJSSFI-UHFFFAOYSA-N
MDL Number	MFCD20921594
Molecular Formula	C9H8FNO5
Molecular Weight	229.1619
SMILES	FC1=CC(=C(C(=O)OC)C=C1OC)[N+](=O)[O-]
Synonyms	methyl 4-fluoro-5-methoxy-2-nitrobenzoate, 159768-50-0, Benzoic acid, 4-fluoro-5-methoxy-2-nitro-, methyl ester, C9H8FNO5, methylfluoromethoxynitrobenzoate, SCHEMBL7814814, DTXSID50633403, 5077AD, MFCD20921594, ZINC71789028, AKOS015991564, MCULE-1261812188, MF-0023, RP13193, FT-0684598, J-522346, 4-Fluoro-5-methoxy-2-nitro-benzoic acid methyl ester,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.039g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.163g/mol
Monoisotopic Mass	229.039g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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