AG0072RN

41252-98-6 | 1-Iodo-2-methyl-3-nitrobenzene

AG0072RN

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CAS Number	41252-98-6
Catalog Number	AG0072RN(AGN-PC-00B3SA)
Chemical Name	1-Iodo-2-methyl-3-nitrobenzene
IUPAC Name	1-iodo-2-methyl-3-nitrobenzene
InChI	InChI=1S/C7H6INO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChI Key	ZVAKFJFOGUFJON-UHFFFAOYSA-N
MDL Number	MFCD08272202
Molecular Formula	C7H6INO2
Molecular Weight	263.0325
SMILES	CC1=C(I)C=CC=C1[N+]([O-])=O
Synonyms	1-iodo-2-methyl-3-nitrobenzene, 41252-98-6, 2-Iodo-6-nitrotoluene, ZVAKFJFOGUFJON-UHFFFAOYSA-N, 1-iodo-2-methyl-3-nitro-benzene, 6-iodo-2-nitrotoluene, Toluene, 2-iodo-6-nitro, AC1Q2ES7, SCHEMBL3140273, CTK4I4521, DTXSID70468219, KS-00000N3F, 5676AB, ANW-72739, MFCD08272202, ZINC14983278, Benzene, 1-iodo-2-methyl-3-nitro-, AKOS009375593, AS07005, MCULE-8313037667, RP29357, AJ-65881, AK-28623, DS-11086, DB-070162, TC-161484, CS-0041327, FT-0758739, EN300-39630, W-2685, AJ-797/43492761, J-504801, Z406679948, C7H6INO2, CID11536258,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.944g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.034g/mol
Monoisotopic Mass	262.944g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number