AG00DC13

52914-23-5 | 4-Iodophenethyl alcohol

AG00DC13

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WARNING This product is not for human or veterinary use.

CAS Number	52914-23-5
Catalog Number	AG00DC13(AGN-PC-0KOA0F)
Chemical Name	4-Iodophenethyl alcohol
IUPAC Name	2-(4-iodophenyl)ethanol
InChI	InChI=1S/C8H9IO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChI Key	GYUSTTSSRXDFKG-UHFFFAOYSA-N
MDL Number	MFCD00173705
Molecular Formula	C8H9IO
Molecular Weight	248.0609
SMILES	C1=CC(=CC=C1CCO)I
Synonyms	2-(4-iodophenyl)ethanol, 52914-23-5, 4-iodophenylethylalcohol, p-Iodophenethyl alcohol, 4-iodophenethyl alcohol, Phenethyl alcohol, p-iodo-, Benzeneethanol, 4-iodo-, 2-(4-iodophenyl)ethan-1-ol, BRN 1933621, 2-(4-Iodo-phenyl)-ethanol, 4-iodophenylethyl alcohol, AC1MI9RT, 4-IODOBENZENEETHANOL, 4-06-00-03082 (Beilstein Handbook Reference), SCHEMBL1416810, CTK8B5916, DTXSID20200964, GYUSTTSSRXDFKG-UHFFFAOYSA-N, KS-00000HB5, ANW-51073, MFCD00173705, RW4083, WT1360, ZINC33756134, AKOS014815353, CS-W004990, RP28791, 52914-23-5 4-Iodophenethyl alcohol, AJ-86290, AK-40186, BR-40186, CJ-18100, DS-13341, SC-53068, AB0025306, LS-103076, TR-018735, AM20040637, FT-0648030, ST24027561, W6745, J-515577, 4-Iodophenethylalcohol, C8H9IO, C8-H9-I-O, CID3040770, S-2507,

Complexity	87.3
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	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number