AG001Z1Y

1736-87-4 | 1-Fluoro-2,3-dimethyl-4-nitrobenzene

AG001Z1Y

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CAS Number	1736-87-4
Catalog Number	AG001Z1Y(AGN-PC-04Q009)
Chemical Name	1-Fluoro-2,3-dimethyl-4-nitrobenzene
IUPAC Name	1-fluoro-2,3-dimethyl-4-nitrobenzene
InChI	InChI=1S/C8H8FNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3
InChI Key	GLDMIZKOJPVEIV-UHFFFAOYSA-N
MDL Number	MFCD05663712
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	FC1=CC=C([N+]([O-])=O)C(C)=C1C
Synonyms	1736-87-4, 2,3-Dimethyl-4-fluoronitrobenzene, 1-fluoro-2,3-dimethyl-4-nitrobenzene, 3-fluoro-6-nitro-1,2-dimethylbenzene, 3-Fluoro-6-nitro-o-xylene, Benzene, 1-fluoro-2,3-dimethyl-4-nitro-, 4-fluoro-2,3-dimethyl nitrobenzene, MFCD05663712, 3-FLUORO-1,2-DIMETHYL-6-NITROBENZENE, AK-39893, Intermediates-ZCF02291, KSC534O2T, ACMC-209e76, SCHEMBL1424697, CTK4D4729, KS-00000FJM, DTXSID20641030, GLDMIZKOJPVEIV-UHFFFAOYSA-N, ACT08544, BCP22402, ZINC2547822, ZX-AP000088, ANW-22672, FCH920246, PC7827, SBB065201, AKOS005145844, 2,3-Dimethyl-1-fluoro-4-nitrobenzene, 4-fluoro-2,3-dimethyl-1-nitrobenzene, ACM1736874, AS05715, CM12258, CS-W003230, MCULE-5467672435, RP23145, RTR-007696, VZ26859, 1-fluoro-2,3-dimethyl-4-nitro-benzene, 2,3-dimethyl-4-fluoro-1-nitro-benzene, AC-28665, AJ-39418, AN-49802, Benzene,1-fluoro-2,3-dimethyl-4-nitro-, BR-39893, CC-15132, CJ-09291, DS-14517, SC-44092, SY018601, AB0022850, AX8011131, DB-011199, TL8005101, TR-007696, 4CH-006996, D5187, FT-0633807, ST24027286, ST51041812, W3790, A20872, B-3524, 736F874, C-05131, I01-7286, J-512541, 2,3-Dimethyl-4-fluoronitrobenzene;4-fluoro-2,3-dimethyl nitrobenzene, C8H8FNO2, ACN-046827,

Complexity	180
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	6.1
Hazard statements	H302-H311-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280h-P305+P351+P338-P309-P310
UN Code	UN 2811

Certificate of Analysis

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