AG003MQA

315-12-8 | 5-Fluoro-1,3-dimethyl-2-nitrobenzene

AG003MQA

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CAS Number	315-12-8
Catalog Number	AG003MQA(AGN-PC-0NJRFJ)
Chemical Name	5-Fluoro-1,3-dimethyl-2-nitrobenzene
IUPAC Name	5-fluoro-1,3-dimethyl-2-nitrobenzene
InChI	InChI=1S/C8H8FNO2/c1-5-3-7(9)4-6(2)8(5)10(11)12/h3-4H,1-2H3
InChI Key	KDPQDERPJHLWGF-UHFFFAOYSA-N
MDL Number	MFCD03413407
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	CC1=CC(F)=CC(C)=C1[N+]([O-])=O
Synonyms	5-FLUORO-1,3-DIMETHYL-2-NITROBENZENE, 315-12-8, 2,6-Dimethyl-4-fluoronitrobenzene, 1,3-Dimethyl-5-fluoro-2-nitrobenzene, MFCD03413407, 5-Fluoro-2-nitro-m-xylene, Benzene, 5-fluoro-1,3-dimethyl-2-nitro-, SCHEMBL11323444, CTK4G7258, DTXSID10505733, KDPQDERPJHLWGF-UHFFFAOYSA-N, ZINC2540885, 3405AB, ACM315128, ANW-68520, AKOS016006997, 4-Fluoro-2,6-dimethyl-1-nitrobenzene, AS05716, CM12259, FCH1121482, MCULE-6262278915, AJ-39135, AK-78433, AS-33089, Benzene,5-fluoro-1,3-dimethyl-2-nitro-, AX8222651, TC-157265, 5-FLUORO-2-NITRO-1,3-DIMETHYLBENZENE, I01-20115, C8H8FNO2,

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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number