AG0078YL

170098-88-1 | 1-Chloro-4-fluoro-2-methyl-5-nitrobenzene

AG0078YL

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CAS Number	170098-88-1
Catalog Number	AG0078YL(AGN-PC-0N31B9)
Chemical Name	1-Chloro-4-fluoro-2-methyl-5-nitrobenzene
IUPAC Name	1-chloro-4-fluoro-2-methyl-5-nitrobenzene
InChI	InChI=1S/C7H5ClFNO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3
InChI Key	DPWZCTKTAOOLAK-UHFFFAOYSA-N
MDL Number	MFCD11110548
Molecular Formula	C7H5ClFNO2
Molecular Weight	189.5715
SMILES	O=[N+](C1=C(F)C=C(C)C(Cl)=C1)[O-]
Synonyms	1-Chloro-4-fluoro-2-methyl-5-nitrobenzene, 170098-88-1, 2-CHLORO-5-FLUORO-4-NITROTOLUENE, Benzene, 1-chloro-4-fluoro-2-methyl-5-nitro-, 1-chloro-4-fluoro-2-methyl-5-nitro-benzene, Intermediates-ZCF02265, SCHEMBL600922, CTK0A8235, DTXSID40438520, DPWZCTKTAOOLAK-UHFFFAOYSA-N, 2-Chloro-4-nitro-5-fluorotoluene, KS-00000ZI8, 8715AA, MFCD11110548, ZINC38584061, AKOS006308725, AM62217, CM13942, QC-7506, AJ-96748, AK-53778, AS-30472, SY040587, AB0070679, MFCD11110548 (95%), C7H5ClFNO2, ACN-056028, CID10352492,

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

Lot Number