AG008LP3

80826-86-4 | 4-Iodo-3,5-dimethylphenol

AG008LP3

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CAS Number	80826-86-4
Catalog Number	AG008LP3(AGN-PC-0KK7P2)
Chemical Name	4-Iodo-3,5-dimethylphenol
IUPAC Name	4-iodo-3,5-dimethylphenol
InChI	InChI=1S/C8H9IO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChI Key	RMJZLNUEDDXELD-UHFFFAOYSA-N
MDL Number	MFCD00174284
Molecular Formula	C8H9IO
Molecular Weight	248.0609
SMILES	OC1=CC(C)=C(I)C(C)=C1
Synonyms	4-iodo-3,5-dimethylphenol, 3,5-Dimethyl-4-iodophenol, 80826-86-4, 4-Iodo-3,5-dimethyl-phenol, MFCD00174284, PubChem19272, 4-Iodo-3,5-xylenol, 3,5-Xylenol,4-iodo-, AC1Q2J7U, 5-Hydroxy-2-iodo-m-xylene, SCHEMBL282435, AC1MC573, Phenol,4-iodo-3,5-dimethyl-, CTK5E8182, DTXSID40371241, RMJZLNUEDDXELD-UHFFFAOYSA-N, ZINC162636, CS-M3254, KS-00001F5J, 3,5-DIMETHYL-4-IODO PHENOL, ANW-44426, SBB058946, AKOS005145861, AC-6609, AN-9848, AS-5188, MCULE-9809120662, VZ25831, AJ-15926, AK-36433, SY018291, ZB007856, AB0002185, DB-022091, ST2405842, TC-060745, A9967, FT-0641780, ST51043283, X5963, MFCD00174284 (95%), I01-7299, C8H9IO, ZINC00162636, ACN-048820, CID2736264,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.97g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.063g/mol
Monoisotopic Mass	247.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number