AG006PJZ

98991-08-3 | 2-iodo-1-methoxy-3-nitro-benzene

AG006PJZ

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CAS Number	98991-08-3
Catalog Number	AG006PJZ(AGN-PC-00DAXI)
Chemical Name	2-iodo-1-methoxy-3-nitro-benzene
IUPAC Name	2-iodo-1-methoxy-3-nitrobenzene
InChI	InChI=1S/C7H6INO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChI Key	IJNNDGXIXMHYOG-UHFFFAOYSA-N
MDL Number	MFCD11656709
Molecular Formula	C7H6INO3
Molecular Weight	279.0319
SMILES	O=[N+](C1=C(I)C(OC)=CC=C1)[O-]
Synonyms	2-Iodo-1-methoxy-3-nitrobenzene, 98991-08-3, 2-Iodo-3-nitroanisole, 2-IODO-1-METHOXY-3-NITRO-BENZENE, 2-Iodo-3-methoxynitrobenzene, AC1LDQ4P, CTK5I0154, DTXSID00347649, 1-Methoxy-2-iodo-3-nitrobenzene, IJNNDGXIXMHYOG-UHFFFAOYSA-N, 2-Iodo-1-methoxy-3-nitrobenzene #, STL450378, ZINC32270578, AKOS027379901, AS02271, FCH1405808, SC-22325, CID624277,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.939g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	279.033g/mol
Monoisotopic Mass	278.939g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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