4-Iodonitrobenzene

CAT: 0127-OR4306-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR4306-01Size:10 g

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

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CAS Number

636-98-6

MDL Number

MFCD00007299

Purity

98%

Smiles

[O-][N+](=O)c1ccc(I)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

1-Iodo-4-nitrobenzene

CAS Number	636-98-6
PubChem CID	12495
IUPAC Name	1-iodo-4-nitrobenzene
Molecular Formula	C6H4INO2
Molecular Weight	249.01
XLogP	2.7
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	126

SMILES

C1=CC(=CC=C1[N+](=O)[O-])I

InChI

InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

InChIKey

SCCCFNJTCDSLCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 636-98-6

CID: 12495

Formula: C6H4INO2

MW: 249.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.01
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	248.92868
Monoisotopic Mass	248.92868
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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
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OR400752-01	4-Bromo-2-iodonitrobenzene
OR4539-01	3-Iodonitrobenzene
OR4227-01	2-Iodonitrobenzene
PC51101-01	2,4-Difluoro-5-iodonitrobenzene
PC501988	2-Bromo-4-fluoro-6-iodonitrobenzene
PC48773-01	2-Chloro-4-fluoro-5-iodonitrobenzene
PC500242	4-Bromo-5-fluoro-2-iodonitrobenzene