AG000FIR

114971-53-8 | Phenol, 4-iodo-2,5-dimethyl-

AG000FIR

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CAS Number	114971-53-8
Catalog Number	AG000FIR(AGN-PC-0KK7OZ)
Chemical Name	Phenol, 4-iodo-2,5-dimethyl-
IUPAC Name	4-iodo-2,5-dimethylphenol
InChI	InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
InChI Key	RFAXNKKOQUYDKE-UHFFFAOYSA-N
MDL Number	MFCD00219922
Molecular Formula	C8H9IO
Molecular Weight	248.0609
SMILES	OC1=CC(C)=C(I)C=C1C
Synonyms	4-iodo-2,5-dimethylphenol, 2,5-Dimethyl-4-iodophenol, 114971-53-8, 4-iodo-2,5-dimethyl-phenol, Phenol,4-iodo-2,5-dimethyl-, MFCD00219922, ACMC-20aoag, 4-Iodo-2,5-xylenol, AC1MC56U, AC1Q2IR3, 2-Hydroxy-5-iodo-p-xylene, SCHEMBL2589677, 4-iodanyl-2,5-dimethyl-phenol, CTK4A8996, Phenol, 4-iodo-2,5-dimethyl-, DTXSID10371238, RFAXNKKOQUYDKE-UHFFFAOYSA-N, ZINC162657, CL9013, SBB100354, AKOS015910535, AJ-15937, AS-46169, SC-73326, ZB007870, RT-009724, FT-0618764, A803275, J-003164, I14-39901, ZINC00162657, CID2736261,

Complexity	116
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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