4-Methoxy-3-nitrobenzonitrile

CAT: 0024-sc-262053ASize: 10 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-262053ASize:10 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

33224-23-6

Chemical Information

4-Methoxy-3-nitrobenzonitrile

CAS Number	33224-23-6
PubChem CID	2800241
IUPAC Name	4-methoxy-3-nitrobenzonitrile
Molecular Formula	C8H6N2O3
Molecular Weight	178.14
XLogP	1.5
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	240

SMILES

COC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,1H3

InChIKey

ACAYRJJVKPMSIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33224-23-6

CID: 2800241

Formula: C8H6N2O3

MW: 178.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.14
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	178.03784206
Monoisotopic Mass	178.03784206
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-232815	4-Methoxy-2-nitrobenzonitrile
sc-225447	2-Methoxy-4-nitrobenzonitrile
sc-480640	4-Amino-2-methoxy-5-nitrobenzonitrile
sc-308205	2-Methoxy-6-nitrobenzonitrile
sc-308205A	2-Methoxy-6-nitrobenzonitrile
sc-308199	2-Methoxy-5-nitrobenzonitrile
sc-206816	4-Amino-3-nitrobenzonitrile
sc-232482	4-Bromo-3-nitrobenzonitrile
sc-238809	4-Chloro-3-nitrobenzonitrile
sc-335786	3-Hydroxy-4-nitrobenzonitrile

Catalog	Name
OR61302-01	3-Methoxy-4-nitrobenzonitrile
OR29956-01	4-Methoxy-3-nitrobenzonitrile
BEA08496-01	2-Methoxy-4-nitrobenzonitrile
OR345089-01	4-Methoxy-2-nitrobenzonitrile
MVB86992-01	3-Fluoro-5-methoxy-4-nitrobenzonitrile
418563-01	2-Methoxy-3-nitrobenzonitrile
OR910730-01	3-methoxy-5-nitrobenzonitrile
OR74003-01	3-Methoxy-2-nitrobenzonitrile
KHD00603-01	4-Fluoro-5-methoxy-2-nitrobenzonitrile
161189	4-Amino-2-methoxy-5-nitrobenzonitrile