AG0037SN

50590-07-3 | 3-Iodo-4-nitrophenol

AG0037SN

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CAS Number	50590-07-3
Catalog Number	AG0037SN(AGN-PC-0BKES8)
Chemical Name	3-Iodo-4-nitrophenol
IUPAC Name	3-iodo-4-nitrophenol
InChI	InChI=1S/C6H4INO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChI Key	FIWCMSJAIDKMNX-UHFFFAOYSA-N
MDL Number	MFCD11617270
Molecular Formula	C6H4INO3
Molecular Weight	265.0053
SMILES	OC1=CC=C([N+]([O-])=O)C(I)=C1
Synonyms	3-Iodo-4-nitrophenol, 50590-07-3, 3-Iodo-4-nitro-phenol, Phenol, 3-iodo-4-nitro-, AK-39967, MFCD11617270, SCHEMBL2568667, CTK1H1150, KS-00000OU8, ANW-54175, ZINC71791108, AKOS015853903, CS-W019053, FCH1405649, GS-3925, LS10155, RTR-018066, WT82597, ACM50590073, BR-39967, CJ-21563, OR400409, SY058780, AB0025166, AJ-118680, AX8213888, TR-018066, 4CH-010560, FT-0639912, ST24022919, W6582, MFCD11617270 (97%), S-3667, Z-8484, 4-Iodo-3-nitrophenol, C6H4INO3, 1-Hydroxy-3-iodo-4-nitrobenzene,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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