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Details

Stereochemistry ACHIRAL
Molecular Formula C9H17BrO2
Molecular Weight 237.134
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 7-BROMOHEPTANOATE

SMILES

CCOC(=O)CCCCCCBr

InChI

InChIKey=OOBFNDGMAGSNKA-UHFFFAOYSA-N
InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H17BrO2
Molecular Weight 237.134
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 12:44:52 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:52 GMT 2023
Record UNII
M5QR4GAP1S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 7-BROMOHEPTANOATE
Systematic Name English
7-BROMOHEPTANOIC ACID ETHYL ESTER
Systematic Name English
HEPTANOIC ACID, 7-BROMO-, ETHYL ESTER
Systematic Name English
TIANEPTINE SODIUM IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
122490
Created by admin on Sat Dec 16 12:44:52 GMT 2023 , Edited by admin on Sat Dec 16 12:44:52 GMT 2023
PRIMARY
FDA UNII
M5QR4GAP1S
Created by admin on Sat Dec 16 12:44:52 GMT 2023 , Edited by admin on Sat Dec 16 12:44:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID80183961
Created by admin on Sat Dec 16 12:44:52 GMT 2023 , Edited by admin on Sat Dec 16 12:44:52 GMT 2023
PRIMARY
CAS
29823-18-5
Created by admin on Sat Dec 16 12:44:52 GMT 2023 , Edited by admin on Sat Dec 16 12:44:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-883-6
Created by admin on Sat Dec 16 12:44:52 GMT 2023 , Edited by admin on Sat Dec 16 12:44:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP