2-Iodo-3-Nitrophenol

CAT: 0127-OR1010493-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1010493-01Size:250 mg

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

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CAS Number

197243-48-4

MDL Number

MFCD11100199

Purity

98%

Smiles

Oc1cccc(c1I)[N+](=O)[O-]

Chemical Information

2-Iodo-3-nitrophenol

CAS Number	197243-48-4
PubChem CID	12167350
IUPAC Name	2-iodo-3-nitrophenol
Molecular Formula	C6H4INO3
Molecular Weight	265.01
XLogP	2
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

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

InChI

InChI=1S/C6H4INO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H

InChIKey

BFXOSMOZBIBXHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 197243-48-4

CID: 12167350

Formula: C6H4INO3

MW: 265.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.01
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	264.92359
Monoisotopic Mass	264.92359
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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