AG00GXSE

861010-57-3 | 3-iodo-2-nitrophenol

AG00GXSE

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CAS Number	861010-57-3
Catalog Number	AG00GXSE(AGN-PC-0WOZN3)
Chemical Name	3-iodo-2-nitrophenol
IUPAC Name	3-iodo-2-nitrophenol
InChI	InChI=1S/C6H4INO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H
InChI Key	DVEGEGXFFSZLBG-UHFFFAOYSA-N
MDL Number	MFCD18398038
Molecular Formula	C6H4INO3
Molecular Weight	265.0053
SMILES	OC1=CC=CC(I)=C1[N+]([O-])=O
Synonyms	3-Iodo-2-nitrophenol, 861010-57-3, iodonitrophenol, 3-iodonitrophenol, SCHEMBL3677997, DVEGEGXFFSZLBG-UHFFFAOYSA-N, ZX-AT005474, MFCD18398038, ZINC91252305, FCH1372392, OR52072, AS-43960, Z1987, C6H4INO3,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.924g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.006g/mol
Monoisotopic Mass	264.924g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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