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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 ETHYL 4-BROMOBENZOATE

SMILES

CCOC(=O)C1=CC=C(Br)C=C1

InChI

InChIKey=XZIAFENWXIQIKR-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

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

PubMed

PubMed

TitleDatePubMed
Fluorogenic derivatization of aryl halides based on the formation of biphenyl by Suzuki coupling reaction with phenylboronic acid.
2009 Oct 2
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:11:45 GMT 2023
Edited
by admin
on Sat Dec 16 07:11:45 GMT 2023
Record UNII
58G35541Q1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 4-BROMOBENZOATE
Systematic Name English
NSC-67387
Code English
BENZOIC ACID, P-BROMO-, ETHYL ESTER
Common Name English
ETHYL P-BROMOBENZOATE
Common Name English
4-BROMOBENZOIC ACID ETHYL ESTER
MI  
Systematic Name English
4-BROMOBENZOIC ACID ETHYL ESTER [MI]
Common Name English
P-BROMOBENZOIC ACID ETHYL ESTER
Common Name English
P-(ETHOXYCARBONYL)PHENYL BROMIDE
Common Name English
4-CARBETHOXYPHENYL BROMIDE
Systematic Name English
4-(ETHOXYCARBONYL)-1-BROMOBENZENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9064005
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY
FDA UNII
58G35541Q1
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY
PUBCHEM
22043
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY
NSC
67387
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY
MERCK INDEX
m2685
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY Merck Index
CAS
5798-75-4
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-347-2
Created by admin on Sat Dec 16 07:11:45 GMT 2023 , Edited by admin on Sat Dec 16 07:11:45 GMT 2023
PRIMARY