AG003MT1

933672-32-3 | 5-IODO-2-METHOXYBENZONITRILE

AG003MT1

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CAS Number	933672-32-3
Catalog Number	AG003MT1(AGN-PC-05W6O4)
Chemical Name	5-IODO-2-METHOXYBENZONITRILE
IUPAC Name	5-iodo-2-methoxybenzonitrile
InChI	InChI=1S/C8H6INO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChI Key	LKHLIOQZTDZHJU-UHFFFAOYSA-N
MDL Number	MFCD02683860
Molecular Formula	C8H6INO
Molecular Weight	259.0438
SMILES	N#CC1=CC(I)=CC=C1OC
Synonyms	5-Iodo-2-methoxybenzonitrile, 933672-32-3, 5-Iodo-2-methoxy-benzonitrile, 677777-44-5, PubChem8166, ACMC-1BHD6, SCHEMBL3979962, CTK8C5824, LKHLIOQZTDZHJU-UHFFFAOYSA-N, ZINC2583733, 5-Iodo-2-methoxybenzonitrile, 97%, AKOS015890172, AS03755, FCH1328117, OR400047, SC-54091, RT-010343, FT-0654466, Z-9116, I01-5489,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.046g/mol
Monoisotopic Mass	258.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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