AG008PUY

75581-11-2 | 4-Iodo-1-methoxy-2-methylbenzene

AG008PUY

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CAS Number	75581-11-2
Catalog Number	AG008PUY(AGN-PC-0L11II)
Chemical Name	4-Iodo-1-methoxy-2-methylbenzene
EC Number	616-235-2
IUPAC Name	4-iodo-1-methoxy-2-methylbenzene
InChI	InChI=1S/C8H9IO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChI Key	FKBRRGQXYZMUNC-UHFFFAOYSA-N
MDL Number	MFCD03425972
Molecular Formula	C8H9IO
Molecular Weight	248.0609
SMILES	CC1=CC(I)=CC=C1OC
Synonyms	4-iodo-1-methoxy-2-methylbenzene, 75581-11-2, 4-IODO-2-METHYLANISOLE, 5-IODO-2-METHOXYTOLUENE, 4-iodo-1-methoxy-2-methyl-benzene, Benzene, 4-iodo-1-methoxy-2-methyl-, 2-Methyl-4-iodoanisole, AC1MYD7G, AKOS AKM01144, SCHEMBL3539341, CTK5E1720, KS-00000MJI, DTXSID60397387, FKBRRGQXYZMUNC-UHFFFAOYSA-N, ZINC2580771, MFCD03425972, 4-iodanyl-1-methoxy-2-methyl-benzene, AKOS005064448, AS02251, CS-W005302, DS-5263, AJ-42910, AK135933, AN-37064, SC-82765, AB0034257, DB-055967, TR-024293, FT-0641569, ST24043802, X8379, C-5251, A838456, I14-30017, C8H9IO, CID3854867,

Complexity	105
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	0
Isotope Atom Count	0
Molecular Weight	248.063g/mol
Monoisotopic Mass	247.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^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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