AG003E7J

118664-99-6 | 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene

AG003E7J

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CAS Number	118664-99-6
Catalog Number	AG003E7J(AGN-PC-004L8F)
Chemical Name	1-Chloro-2-fluoro-4-methyl-5-nitrobenzene
IUPAC Name	1-chloro-2-fluoro-4-methyl-5-nitrobenzene
InChI	InChI=1S/C7H5ClFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3
InChI Key	WZEMBGOGKOKTDW-UHFFFAOYSA-N
MDL Number	MFCD15527686
Molecular Formula	C7H5ClFNO2
Molecular Weight	189.5715
SMILES	O=[N+](C1=C(C)C=C(F)C(Cl)=C1)[O-]
Synonyms	118664-99-6, 1-CHLORO-2-FLUORO-4-METHYL-5-NITROBENZENE, 4-Chloro-5-fluoro-2-nitrotoluene, 4-CHLORO-3-FLUORO-6-NITROTOLUENE, 3-Chloro-4-fluoro-6-methylnitrobenzene, AK-53783, Benzene, 1-chloro-2-fluoro-4-methyl-5-nitro-, SCHEMBL7671583, CTK8C0090, DTXSID00459039, WZEMBGOGKOKTDW-UHFFFAOYSA-N, KS-000005AZ, ANW-64076, FCH925025, MFCD15527686, ZINC34408448, AKOS006337063, AKOS034830322, CM13943, CS-W003874, TRA0096919, AJ-88351, CJ-18344, DS-14282, SY022912, AB0000398, AX8215224, ST2403397, TC-152821, 4CH-019008, Z2715, W-3831, MFCD15527686 (97+%), C7H5ClFNO2, 2-fluoro-4-methyl-5-nitroaniline, ACN-056255, 5-Chloro-4-fluoro-2-methylnitrobenzene, CID11217718, 1-chloro-2-fluoro-4-methyl-5-nitro-benzene, 259860-00-9,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.57g/mol
Monoisotopic Mass	188.999g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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