U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5IO2
Molecular Weight 248.0179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Iodobenzoic acid

SMILES

OC(=O)C1=CC=CC(I)=C1

InChI

InChIKey=KVBWBCRPWVKFQT-UHFFFAOYSA-N
InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H5IO2
Molecular Weight 248.0179
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 Tue Apr 01 20:37:13 GMT 2025
Edited
by admin
on Tue Apr 01 20:37:13 GMT 2025
Record UNII
Q4ZCP9G95X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-74693
Preferred Name English
3-Iodobenzoic acid
Systematic Name English
BENZOIC ACID, 3-IODO-
Systematic Name English
M-IODOBENZOIC ACID
Common Name English
M-CARBOXYIODOBENZENE
Common Name English
BENZOIC ACID, 3-(IODOCARBONYL)-
Systematic Name English
Code System Code Type Description
CAS
618-51-9
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY
FDA UNII
Q4ZCP9G95X
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY
NSC
74693
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY
PUBCHEM
12060
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID6060682
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-555-2
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY
CHEBI
166852
Created by admin on Tue Apr 01 20:37:13 GMT 2025 , Edited by admin on Tue Apr 01 20:37:13 GMT 2025
PRIMARY