AG00C6Y2

41046-67-7 | 2-Iodobenzene-1,3-diol

AG00C6Y2

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CAS Number	41046-67-7
Catalog Number	AG00C6Y2(AGN-PC-0JTV1H)
Chemical Name	2-Iodobenzene-1,3-diol
IUPAC Name	2-iodobenzene-1,3-diol
InChI	InChI=1S/C6H5IO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChI Key	BNJXHRMYHDWZKL-UHFFFAOYSA-N
MDL Number	MFCD09701440
Molecular Formula	C6H5IO2
Molecular Weight	236.0072
SMILES	Ic1c(O)cccc1O
Synonyms	2-iodobenzene-1,3-diol, 41046-67-7, 2-Iodoresorcinol, 2-Iodo-1,3-benzenediol, 2-Iodo-1,3-dihydroxybenzene, 1,3-Benzenediol, 2-iodo-, BNJXHRMYHDWZKL-UHFFFAOYSA-N, MFCD09701440, iodoresorcinol, AC1LDE0N, ACMC-1AOL8, 1,3-Benzenediol,2-iodo-, 2-Iodo-benzene-1,3-diol, SCHEMBL69649, 2-Iodo-1,3-benzenediol #, 1,3-Dihydroxy-2-iodobenzene, CTK4I4195, DTXSID10346981, KS-000014PW, ANW-29548, CI-396, FD7081, ZINC32257174, AKOS015917177, FCH1392287, ACM41046677, AJ-85157, AK-84646, AS-49286, AB0039223, AX8167228, DB-070132, ST2410058, TC-118293, FT-0755399, I0788, Y6655, 046I677, S01-0866, C6H5IO2, CID616833,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.933g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.008g/mol
Monoisotopic Mass	235.933g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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