3-Iodo-1-nitronaphthalene

CAT: 0127-OR1062061-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1062061-01Size:100 mg

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CAS Number

690226-82-5

MDL Number

MFCD17012569

Purity

98%

Smiles

O=[N+](C1=C2C=CC=CC2=CC(I)=C1)[O-]

Chemical Information

3-Iodo-1-nitronaphthalene

CAS Number	690226-82-5
PubChem CID	53485700
IUPAC Name	3-iodo-1-nitronaphthalene
Molecular Formula	C10H6INO2
Molecular Weight	299.06
XLogP	3.8
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	229

SMILES

C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])I

InChI

InChI=1S/C10H6INO2/c11-8-5-7-3-1-2-4-9(7)10(6-8)12(13)14/h1-6H

InChIKey

IIYXVQAXBHZJAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 690226-82-5

CID: 53485700

Formula: C10H6INO2

MW: 299.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.06
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	298.94433
Monoisotopic Mass	298.94433
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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
OR1059843-01	1-Bromo-3-nitronaphthalene
OR1993	1-Acetamido-3-nitronaphthalene
OR77693-01	3-Bromo-1-nitronaphthalene
OR1884-01	1-Nitronaphthalene
OR340040	2-Isopropyl-3-nitronaphthalene
OR90820-01	1-Chloro-4-nitronaphthalene
OR30395-01	2-Methyl-1-nitronaphthalene
OR26190-01	2-Methoxy-1-nitronaphthalene
OR918208-01	1-Methyl-4-nitronaphthalene
OR3179-01	1-Bromo-5-nitronaphthalene

Catalog	Name
sc-298468	2-Iodo-3-nitronaphthalene
EHC76570-01	2-Iodo-1-methoxy-4-nitronaphthalene
591644	1-Nitronaphthalene
TRC-N496856-2MG	1-Nitronaphthalene-d7
N2592-77	3-Nitronaphthalene-2-methanol
sc-306990	2-Bromo-3-nitronaphthalene
EAA90063	1-Methoxy-4-nitronaphthalene
TRC-C415300-1G	1-(Chloromethyl)-4-nitronaphthalene
JH917975	1-fluoro-2-nitronaphthalene
TRC-B546550-250MG	6-Bromo-1-nitronaphthalene