AG00CLTS

314298-13-0 | Benzene, 1-fluoro-5-methoxy-2-methyl-4-nitro- (9CI)

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CAS Number	314298-13-0
Catalog Number	AG00CLTS(AGN-PC-0R6STY)
Chemical Name	Benzene, 1-fluoro-5-methoxy-2-methyl-4-nitro- (9CI)
IUPAC Name	1-fluoro-5-methoxy-2-methyl-4-nitrobenzene
InChI	InChI=1S/C8H8FNO3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,1-2H3
InChI Key	JQNHPTUQNTUAJC-UHFFFAOYSA-N
MDL Number	MFCD15527524
Molecular Formula	C8H8FNO3
Molecular Weight	185.1524
SMILES	O=[N+](C1=C(OC)C=C(F)C(C)=C1)[O-]
Synonyms	314298-13-0, 5-Fluoro-4-methyl-2-nitroanisole, 1-FLUORO-5-METHOXY-2-METHYL-4-NITROBENZENE, 1-fluoro-5-methoxy-2-methyl-4-nitro-benzene, ACMC-1AF3Z, SCHEMBL310694, Benzene, 1-fluoro-5-methoxy-2-methyl-4-nitro- (9CI), CTK4G7125, DTXSID60594137, JQNHPTUQNTUAJC-UHFFFAOYSA-N, ANW-27114, MFCD15527524, ZINC39090244, AKOS022172782, AJ-98257, AK-50403, TC-115859, FT-0712334, V5097, 5-fluoro-4-methyl-2-nitrophenyl methyl ether, B-8112, Benzene,1-fluoro-5-methoxy-2-methyl-4-nitro-, 1-fluoro-2-methyl-5-(methyloxy)-4-nitrobenzene, BENZENE, 1-FLUORO-5-METHOXY-2-METHYL-4-NITRO-, C8H8FNO3,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.154g/mol
Monoisotopic Mass	185.049g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number