o-Iodocumene

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11I
Molecular Weight	246.0881
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of o-Iodocumene

Structure Search

SMILES

CC(C)C1=CC=CC=C1I

InChI

InChIKey=SORQIYFSJAWBNQ-UHFFFAOYSA-N

InChI=1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H11I
Molecular Weight	246.0881
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:03:17 GMT 2025` Edited by `admin` on `Wed Apr 02 15:03:17 GMT 2025`
Record UNII	DR9WQW9E5N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

o-Iodocumene

Systematic Name

English

2-Iodoisopropylbenzene

Preferred Name

English

1-iodo-2-propan-2-ylbenzene

Systematic Name

English

1-Iodo-2-(1-methylethyl)benzene

Systematic Name

English

Benzene, 1-iodo-2-(1-methylethyl)-

Systematic Name

English

Code System Code Type Description

CAS

19099-54-8

Created by admin on Wed Apr 02 15:03:17 GMT 2025 , Edited by admin on Wed Apr 02 15:03:17 GMT 2025

PRIMARY

PUBCHEM

87931

Created by admin on Wed Apr 02 15:03:17 GMT 2025 , Edited by admin on Wed Apr 02 15:03:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID20172612

Created by admin on Wed Apr 02 15:03:17 GMT 2025 , Edited by admin on Wed Apr 02 15:03:17 GMT 2025

PRIMARY

ECHA (EC/EINECS)

242-819-8

Created by admin on Wed Apr 02 15:03:17 GMT 2025 , Edited by admin on Wed Apr 02 15:03:17 GMT 2025

PRIMARY

FDA UNII

DR9WQW9E5N

Created by admin on Wed Apr 02 15:03:17 GMT 2025 , Edited by admin on Wed Apr 02 15:03:17 GMT 2025

PRIMARY