CAS 1516-21-8 | Benzene, 1-methoxy-4-nitroso- | CAS Number 1516-21-8

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1516-21-8 | Benzene, 1-methoxy-4-nitroso-

CAS No: 1516-21-8 Catalog No: AG001NFV MDL No:

Product Description

Catalog Number:

AG001NFV

Chemical Name:

Benzene, 1-methoxy-4-nitroso-

CAS Number:

1516-21-8

Molecular Formula:

C7H7NO2

Molecular Weight:

137.1360

IUPAC Name:

1-methoxy-4-nitrosobenzene

InChI:

InChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3

InChI Key:

RIOSDPIZGIWNMS-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)N=O

Properties

Complexity:

108

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

137.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

137.138g/mol

Monoisotopic Mass:

137.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Importance of phenols structure on their activity as antinitrosating agents: A kinetic study.	Journal of pharmacy & bioallied sciences 20110101
N'-[Bis(benzyl-sulfan-yl)methyl-idene]-4-meth-oxy-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20100801