AG002P75

Name: 3-Iodobenzoylacetonitrile
Brand: Angene Chemical
SKU: AG002P75

247206-80-0 | 3-Iodobenzoylacetonitrile

AG002P75

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CAS Number	247206-80-0
Catalog Number	AG002P75(AGN-PC-00CVDE)
Chemical Name	3-Iodobenzoylacetonitrile
IUPAC Name	3-(3-iodophenyl)-3-oxopropanenitrile
InChI	InChI=1S/C9H6INO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChI Key	RFIKLEHQZPGRIM-UHFFFAOYSA-N
MDL Number	MFCD04114350
Molecular Formula	C9H6INO
Molecular Weight	271.0545
SMILES	N#CCC(=O)c1cccc(c1)I
Synonyms	3-IODOBENZOYLACETONITRILE, 247206-80-0, 3-(3-iodophenyl)-3-oxopropanenitrile, 2-(3-Iodobenzoyl)acetonitrile, 2-(3-iodobenzoyl)-acetonitrile, Benzenepropanenitrile, 3-iodo-beta-oxo-, beta-ketonitrile 5a, 3-(3-iodophenyl)-3-oxo-propanenitrile, PubChem12039, CHEMBL390542, SCHEMBL3658196, BDBM16184, CTK4F4246, 2-(3-iodobenzoyl)- acetonitrile, DTXSID10469624, RFIKLEHQZPGRIM-UHFFFAOYSA-N, ZINC2599154, Benzenepropanenitrile,3-iodo-b-oxo-, 5351AH, FD6032, MFCD04114350, AKOS009254708, AB18114, BBV-239935, FCH5007858, ACM247206800, AJ-43894, Benzenepropanenitrile, 3-iodo-.beta.-oxo-, AB0048265, AX8025585, RT-008761, FT-0604204, A-7194, C9H6INO, CID11623179, A5066,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.057g/mol
Monoisotopic Mass	270.949g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited