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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 Methyl 4-(bromomethyl)benzoate

SMILES

COC(=O)C1=CC=C(CBr)C=C1

InChI

InChIKey=NLWBJPPMPLPZIE-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:39 GMT 2023
Record UNII
C9GY6V54X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-(bromomethyl)benzoate
Systematic Name English
4-(Carbomethoxy)benzyl bromide
Systematic Name English
p-Toluic acid, α-bromo-, methyl ester
Systematic Name English
Benzoic acid, 4-(bromomethyl)-, methyl ester
Systematic Name English
4-(Methoxycarbonyl)benzyl bromide
Systematic Name English
Methyl p-(bromomethyl)benzoate
Systematic Name English
NSC-83959
Code English
Code System Code Type Description
CAS
2417-72-3
Created by admin on Sat Dec 16 08:25:39 GMT 2023 , Edited by admin on Sat Dec 16 08:25:39 GMT 2023
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PUBCHEM
256687
Created by admin on Sat Dec 16 08:25:39 GMT 2023 , Edited by admin on Sat Dec 16 08:25:39 GMT 2023
PRIMARY
NSC
83959
Created by admin on Sat Dec 16 08:25:39 GMT 2023 , Edited by admin on Sat Dec 16 08:25:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID4049406
Created by admin on Sat Dec 16 08:25:39 GMT 2023 , Edited by admin on Sat Dec 16 08:25:39 GMT 2023
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FDA UNII
C9GY6V54X6
Created by admin on Sat Dec 16 08:25:39 GMT 2023 , Edited by admin on Sat Dec 16 08:25:39 GMT 2023
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