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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9BrO2
Molecular Weight 229.071
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL BROMOACETATE

SMILES

BrCC(=O)OCC1=CC=CC=C1

InChI

InChIKey=JHVLLYQQQYIWKX-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2

HIDE SMILES / InChI
Molecular Formula C9H9BrO2
Molecular Weight 229.071
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Patents

Patents

04473575
30
04885299
2
05414132
6
05523315
1
05962529
3
05968985
1
05977101
1
06184389
2
06420401
1
06924304
1
06972288
2
07022716
9
07442708
1
07476687
3
07625901
4
07759387
6
07989624
2
JP2001520297A
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:32:28 GMT 2025
Edited
by admin
on Mon Mar 31 19:32:28 GMT 2025
Record UNII
64U2RK18D3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL BROMOACETATE
Systematic Name English
BENZYL 2-BROMOACETATE
Preferred Name English
NSC-16114
Code English
NSC-23980
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 8710
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
226-611-4
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
NSC
23980
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID4040343
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
PUBCHEM
62576
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
FDA UNII
64U2RK18D3
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
NSC
16114
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
CAS
5437-45-6
Created by admin on Mon Mar 31 19:32:28 GMT 2025 , Edited by admin on Mon Mar 31 19:32:28 GMT 2025
PRIMARY
NIH
NCATS
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