AG003LKB

41252-97-5 | 4-Iodo-2-nitrotoluene

AG003LKB

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CAS Number	41252-97-5
Catalog Number	AG003LKB(AGN-PC-0JPREK)
Chemical Name	4-Iodo-2-nitrotoluene
EC Number	255-279-3
IUPAC Name	4-iodo-1-methyl-2-nitrobenzene
InChI	InChI=1S/C7H6INO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChI Key	QLMRDNPXYNJQMQ-UHFFFAOYSA-N
MDL Number	MFCD00051090
Molecular Formula	C7H6INO2
Molecular Weight	263.0325
SMILES	C1=C(C(=CC=C1I)C)[N+](=O)[O-]
Synonyms	4-Iodo-2-nitrotoluene, 41252-97-5, 4-iodo-1-methyl-2-nitrobenzene, Benzene, 4-iodo-1-methyl-2-nitro-, MFCD00051090, EINECS 255-279-3, PubChem15938, 2-Nitro-4-iodotoluene, ACMC-1APFK, AC1Q2EFJ, Maybridge1_008109, KSC493S9D, AC1L55O5, SCHEMBL1185484, CTK3J3991, HMS564I13, KS-00000EOF, DTXSID00194175, QLMRDNPXYNJQMQ-UHFFFAOYSA-N, 4-iodo-1-methyl-2-nitro-benzene, ZINC111660, ACT12770, ANW-51079, CCG-51336, CI-276, SBB064425, AKOS005145629, AS02330, CS-W002239, MCULE-4606805575, QC-7669, RTR-016385, TRA0044891, VZ29237, AC-22951, AJ-11366, AK-47575, AS-19109, BR-47575, CJ-00808, SC-95124, SY017741, ZB003752, AB0031454, DB-011367, TR-016385, AM20040435, FT-0618760, I0993, ST24032808, X4547, EN300-39784, A19673, Q-7373, MFCD00051090 (97+%), 252I975, I01-4831, SR-01000640638-1, 4-(Cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylic acid, C7H6INO2, C7-H6-I-N-O2, 2-Nitro-4-iodotoluene - 5G 5g, CID170481, ZINC00111660, 143294-89-7,

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	2.8

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

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