AG0004H2

101420-79-5 | Benzonitrile, 4-iodo-3-nitro-

AG0004H2

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CAS Number	101420-79-5
Catalog Number	AG0004H2(AGN-PC-01MGBG)
Chemical Name	Benzonitrile, 4-iodo-3-nitro-
IUPAC Name	4-iodo-3-nitrobenzonitrile
InChI	InChI=1S/C7H3IN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key	PZAMZPVQVFOYHP-UHFFFAOYSA-N
MDL Number	MFCD07783655
Molecular Formula	C7H3IN2O2
Molecular Weight	274.0154
SMILES	[O-][N+](=O)C1=C(I)C=CC(=C1)C#N
Synonyms	4-Iodo-3-nitrobenzonitrile, 101420-79-5, Benzonitrile,4-iodo-3-nitro-, ACMC-20a4pv, 3-Nitro-4-iodobenzonitrile, 4-Iodo-3-nitro-benzonitrile, C7H3IN2O2, SCHEMBL5358509, Benzonitrile, 4-iodo-3-nitro-, CTK3J9779, KS-00000YPI, DTXSID70591197, CS-B0300, 0379AA, ANW-57041, MFCD07783655, ZINC21990576, AKOS015909772, FCH4919250, LS10160, AJ-79695, AS-46292, BBV-45531197, OR400133, AX8237546, DB-058604, RT-020426, FT-0720805, ST24023579, J-000388, I14-31932,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.017g/mol
Monoisotopic Mass	273.924g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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