AG000J7H

1227311-09-2 | Benzonitrile, 4-iodo-3,5-dimethyl-

AG000J7H

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CAS Number	1227311-09-2
Catalog Number	AG000J7H(AGN-PC-0WCCSM)
Chemical Name	Benzonitrile, 4-iodo-3,5-dimethyl-
IUPAC Name	4-iodo-3,5-dimethylbenzonitrile
InChI	InChI=1S/C9H8IN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3
InChI Key	XDEZDJRLICNWND-UHFFFAOYSA-N
MDL Number	MFCD19441144
Molecular Formula	C9H8IN
Molecular Weight	257.0710
SMILES	N#CC1=CC(C)=C(I)C(C)=C1
Synonyms	4-iodo-3,5-dimethylbenzonitrile, 1227311-09-2, CTK8B9750, DTXSID50704905, CS-M3147, KS-00001F3O, Benzonitrile,4-iodo-3,5-dimethyl-, ANW-62983, MFCD19441144, ZINC71260829, Benzonitrile, 4-iodo-3,5-dimethyl-, DS-3716, FCH1358836, AK101464, AJ-117895, AX8233003, TC-151728, Z2882, C9H8IN,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.97g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.074g/mol
Monoisotopic Mass	256.97g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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