AG001Z1Z

1736-85-2 | Benzene, 2-fluoro-1,3-dimethyl-5-nitro-

AG001Z1Z

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CAS Number	1736-85-2
Catalog Number	AG001Z1Z(AGN-PC-007OJC)
Chemical Name	Benzene, 2-fluoro-1,3-dimethyl-5-nitro-
IUPAC Name	2-fluoro-1,3-dimethyl-5-nitrobenzene
InChI	InChI=1S/C8H8FNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
InChI Key	VJEBIHTVWPSCEM-UHFFFAOYSA-N
MDL Number	MFCD22055006
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	O=[N+](C1=CC(C)=C(F)C(C)=C1)[O-]
Synonyms	2-Fluoro-1,3-dimethyl-5-nitrobenzene, 1736-85-2, 2-Fluoro-5-nitro-m-xylene, Benzene, 2-fluoro-1,3-dimethyl-5-nitro-, 3,5-dimethyl-4-fluoronitrobenzene, AK-86757, SCHEMBL76981, CTK0A7644, DTXSID20463653, VJEBIHTVWPSCEM-UHFFFAOYSA-N, 4-fluoro-3,5-dimethylnitrobenzene, KS-00000EP5, ANW-45891, MFCD22055006, ZINC77028540, AKOS015998868, 1,3-Dimethyl-2-fluoro-5-nitrobenzene, 3,5-dimethyl-4-fluoro-1-nitrobenzene, CS-W005736, FCH1584323, AS-18160, AJ-122444, AX8227211, TC-134636, ST24022233, W3789, C8H8FNO2, 2-fluoro-1,3-dimethyl-5-nitro-benzene, CID11367232,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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