AG002X04

289039-30-1 | Benzonitrile, 3-chloro-5-iodo-

AG002X04

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CAS Number	289039-30-1
Catalog Number	AG002X04(AGN-PC-04Q08J)
Chemical Name	Benzonitrile, 3-chloro-5-iodo-
IUPAC Name	3-chloro-5-iodobenzonitrile
InChI	InChI=1S/C7H3ClIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI Key	MOXWXOASLNWUAJ-UHFFFAOYSA-N
MDL Number	MFCD00672974
Molecular Formula	C7H3ClIN
Molecular Weight	263.4629
SMILES	ClC1=CC(I)=CC(=C1)C#N
Synonyms	3-Chloro-5-iodobenzonitrile, 289039-30-1, 3-Chloro-5-iodo-benzonitrile, Benzonitrile, 3-chloro-5-iodo-, PubChem1590, PubChem4730, Benzonitrile,3-chloro-5-iodo-, SCHEMBL3598203, CTK4G2370, KS-00000EIW, DTXSID70641060, MOXWXOASLNWUAJ-UHFFFAOYSA-N, 3-chloro-5-iodobenzenecarbonitrile, ACT12350, ZINC2567843, ZX-AT006551, ANW-72549, MFCD00672974, SBB064394, AKOS015890085, AC-4049, AC-4051, AM61887, AS03720, CM13015, FCH1328072, OR15035, PS-7348, TRA0020770, ACM289039301, AJ-41494, AK-34539, AN-12388, CJ-09809, SY022906, AB0061088, AX8085947, DB-068023, TC-161294, FT-0655755, ST24042058, A20938, K-7113, MFCD00672974 (97+%), 039C301, I01-4763, 2-Chloro-5-iodobenzonitrile, ACN-042517, 289039-29-8,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.9g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.462g/mol
Monoisotopic Mass	262.9g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number