AG0026OJ

179011-38-2 | Benzene, 1,5-difluoro-2-methyl-4-nitro-

AG0026OJ

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CAS Number	179011-38-2
Catalog Number	AG0026OJ(AGN-PC-0WRA2Y)
Chemical Name	Benzene, 1,5-difluoro-2-methyl-4-nitro-
IUPAC Name	1,5-difluoro-2-methyl-4-nitrobenzene
InChI	InChI=1S/C7H5F2NO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChI Key	BVVAZYONIKSNFT-UHFFFAOYSA-N
MDL Number	MFCD16620288
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	FC1=C(C=C(C(=C1)F)[N+](=O)[O-])C
Synonyms	2,4-DIFLUORO-5-NITROTOLUENE, 179011-38-2, 1,5-Difluoro-2-methyl-4-nitrobenzene, SCHEMBL107162, DTXSID70595655, BVVAZYONIKSNFT-UHFFFAOYSA-N, CL9174, MFCD16620288, ZINC60148858, AS-46233, SY224354, AJ-113885, Benzene, 1,5-difluoro-2-methyl-4-nitro-, MFCD16620288 (97%),

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.119g/mol
Monoisotopic Mass	173.029g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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