AG001VRU

1616526-80-7 | Benzene, 1,5-difluoro-3-methyl-2-nitro-

AG001VRU

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CAS Number	1616526-80-7
Catalog Number	AG001VRU(AGN-PC-0CKFGG)
Chemical Name	Benzene, 1,5-difluoro-3-methyl-2-nitro-
IUPAC Name	1,5-difluoro-3-methyl-2-nitrobenzene
InChI	InChI=1S/C7H5F2NO2/c1-4-2-5(8)3-6(9)7(4)10(11)12/h2-3H,1H3
InChI Key	YEYOQSYKJFWRNK-UHFFFAOYSA-N
MDL Number	MFCD21603715
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	O=[N+](C1=C(C)C=C(F)C=C1F)[O-]
Synonyms	1,5-difluoro-3-methyl-2-nitrobenzene, 1616526-80-7, 3,5-DIFLUORO-2-NITROTOLUENE, AK-53627, SCHEMBL20241509, KS-00000OW0, MFCD21603715, ZINC95931483, AKOS022179850, CS-W021291, FCH1564006, DS-14259, AJ-137151, AX8215270, Benzene, 1,5-difluoro-3-methyl-2-nitro-, ST2403016, ACN-056260,

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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