AG002EYN

19099-56-0 | Benzene, 1-iodo-3-(1-methylethyl)-

AG002EYN

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CAS Number	19099-56-0
Catalog Number	AG002EYN(AGN-PC-01XB82)
Chemical Name	Benzene, 1-iodo-3-(1-methylethyl)-
IUPAC Name	1-iodo-3-propan-2-ylbenzene
InChI	InChI=1S/C9H11I/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChI Key	ABEHQMOOXFPCPF-UHFFFAOYSA-N
MDL Number	MFCD11183302
Molecular Formula	C9H11I
Molecular Weight	246.0881
SMILES	IC1=CC(C(C)C)=CC=C1
Synonyms	1-iodo-3-isopropylbenzene, 19099-56-0, 1-iodo-3-propan-2-ylbenzene, Benzene, 1-iodo-3-(1-methylethyl)-, SCHEMBL6345064, 1-iodanyl-3-propan-2-yl-benzene, MFCD11183302, ZINC57375403, AS-17940, DB-010025, FT-0720384, V4040, A811530, 3-Iodoisopropylbenzene, C9H11I, ACN-043617, 17356-09-1,

Complexity	98.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.991g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.091g/mol
Monoisotopic Mass	245.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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