AG002YAX

294190-16-2 | Benzene, 5-chloro-1-iodo-2-methyl-3-nitro-

AG002YAX

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CAS Number	294190-16-2
Catalog Number	AG002YAX(AGN-PC-0R50CW)
Chemical Name	Benzene, 5-chloro-1-iodo-2-methyl-3-nitro-
IUPAC Name	5-chloro-1-iodo-2-methyl-3-nitrobenzene
InChI	InChI=1S/C7H5ClINO2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,1H3
InChI Key	MNRZNGSAWDQNSN-UHFFFAOYSA-N
MDL Number	MFCD08690120
Molecular Formula	C7H5ClINO2
Molecular Weight	297.4776
SMILES	O=[N+](C1=C(C)C(I)=CC(Cl)=C1)[O-]
Synonyms	294190-16-2, 5-Chloro-1-iodo-2-methyl-3-nitrobenzene, 4-Chloro-2-iodo-6-nitrotoluene, 5-chloro-1-iodo-2-methyl-3-nitro-benzene, Benzene,5-chloro-1-iodo-2-methyl-3-nitro-, SCHEMBL4931946, 2-Iodo-4-chloro-6-nitrotoluene, CTK4G3266, DTXSID80444509, MNRZNGSAWDQNSN-UHFFFAOYSA-N, CS-D0117, MFCD08690120, ZINC14985659, AKOS016845893, FCH1324161, ACM294190162, AJ-66381, AK135355, AS-42096, QC-10788, SC-32817, 1-Iodo-2-methyl-3-nitro-5-chlorobenzene, AB0081750, AX8095750, 4CH-003429, Benzene, 5-chloro-1-iodo-2-methyl-3-nitro-, W-2558, CID10756455,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.905g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.476g/mol
Monoisotopic Mass	296.905g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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