AG00342Y

69518-17-8 | 4-Iodophthalonitrile

AG00342Y

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CAS Number	69518-17-8
Catalog Number	AG00342Y(AGN-PC-0L5OII)
Chemical Name	4-Iodophthalonitrile
IUPAC Name	4-iodobenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChI Key	OOHQHYJZUSXMFD-UHFFFAOYSA-N
MDL Number	MFCD01863730
Molecular Formula	C8H3IN2
Molecular Weight	254.0273
SMILES	IC=1C=C(C(C#N)=CC1)C#N
Synonyms	4-Iodophthalonitrile, 69518-17-8, 4-iodobenzene-1,2-dicarbonitrile, 4-IODOPHTHALONITRILE, 97%, 4 - iodophthalonitrile, ACMC-20amg4, AC1N3Y0O, 4-iodo-1,2-dicyanobenzene, SCHEMBL769392, CTK5D0258, DTXSID10399533, OOHQHYJZUSXMFD-UHFFFAOYSA-N, ZINC403352, MFCD01863730, AKOS015889231, FCH1317972, NE22490, AJ-22049, DA-04165, TC-168763, FT-0720968, EN300-130203, I01-16901, InChI=1/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3, 4-IODOPHTHALONITRILE97, 4-Iodophthalonitrile - 1G 1g, CID4120024,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.934g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.03g/mol
Monoisotopic Mass	253.934g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number