CAS 58755-70-7 | 1-Iodo-4-methoxy-2-nitrobenzene | CAS Number 58755-70-7

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58755-70-7 | 1-Iodo-4-methoxy-2-nitrobenzene

CAS No: 58755-70-7 Catalog No: AG003LKF MDL No:MFCD00024195

Product Description

Catalog Number:

AG003LKF

Chemical Name:

1-Iodo-4-methoxy-2-nitrobenzene

CAS Number:

58755-70-7

Molecular Formula:

C7H6INO3

Molecular Weight:

279.0319

MDL Number:

MFCD00024195

IUPAC Name:

1-iodo-4-methoxy-2-nitrobenzene

InChI:

InChI=1S/C7H6INO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

InChI Key:

JWZODIRSJJQOKY-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)[N+](=O)[O-])I

NSC Number:

158572

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.939g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.033g/mol

Monoisotopic Mass:

278.939g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
1-Iodo-4-meth-oxy-2-nitro-benzene.	Acta crystallographica. Section E, Structure reports online 20120301
One- and two-electron reactivity of a tantalum(V) complex with a redox-active tris(amido) ligand.	Journal of the American Chemical Society 20090311