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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9IO2
Molecular Weight 276.071
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl iodoacetate

SMILES

ICC(=O)OCC1=CC=CC=C1

InChI

InChIKey=RCNXBVQQUUKQNX-UHFFFAOYSA-N
InChI=1S/C9H9IO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2

HIDE SMILES / InChI

Molecular Formula C9H9IO2
Molecular Weight 276.071
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 Sat Dec 16 11:56:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:33 GMT 2023
Record UNII
8EV3AE4P45
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl iodoacetate
Systematic Name English
NSC-21800
Code English
Acetic acid, 2-iodo-, phenylmethyl ester
Systematic Name English
AI3-30417
Code English
Phenylmethyl 2-iodoacetate
Systematic Name English
Benzyl 2-iodoacetate
Systematic Name English
Acetic acid, iodo-, phenylmethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
95172
Created by admin on Sat Dec 16 11:56:33 GMT 2023 , Edited by admin on Sat Dec 16 11:56:33 GMT 2023
PRIMARY
CAS
81867-37-0
Created by admin on Sat Dec 16 11:56:33 GMT 2023 , Edited by admin on Sat Dec 16 11:56:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID00231438
Created by admin on Sat Dec 16 11:56:33 GMT 2023 , Edited by admin on Sat Dec 16 11:56:33 GMT 2023
PRIMARY
NSC
21800
Created by admin on Sat Dec 16 11:56:33 GMT 2023 , Edited by admin on Sat Dec 16 11:56:33 GMT 2023
PRIMARY
FDA UNII
8EV3AE4P45
Created by admin on Sat Dec 16 11:56:33 GMT 2023 , Edited by admin on Sat Dec 16 11:56:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-839-1
Created by admin on Sat Dec 16 11:56:33 GMT 2023 , Edited by admin on Sat Dec 16 11:56:33 GMT 2023
PRIMARY