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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7BrO2
Molecular Weight 215.044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-BROMOBENZOATE

SMILES

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

InChI

InChIKey=CZNGTXVOZOWWKM-UHFFFAOYSA-N
InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7BrO2
Molecular Weight 215.044
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis of classical, three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates.
2004 Dec 30
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:11:46 GMT 2023
Edited
by admin
on Sat Dec 16 07:11:46 GMT 2023
Record UNII
UB1YSJ5XAR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4-BROMOBENZOATE
Systematic Name English
1-BROMO-4-(METHOXYCARBONYL)BENZENE
Systematic Name English
4-BROMOBENZOIC ACID METHYL ESTER [MI]
Common Name English
4-METHOXYCARBONYLPHENYL BROMIDE
Systematic Name English
P-BROMOBENZOIC ACID METHYL ESTER
Common Name English
4-METHOXYCARBONYL-1-BROMOBENZENE
Systematic Name English
METHYL P-BROMOBENZOATE
Common Name English
NSC-9392
Code English
Code System Code Type Description
ECHA (EC/EINECS)
210-596-6
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY
FDA UNII
UB1YSJ5XAR
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY
CAS
619-42-1
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID7060702
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY
PUBCHEM
12081
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY
MERCK INDEX
m2685
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY Merck Index
NSC
9392
Created by admin on Sat Dec 16 07:11:46 GMT 2023 , Edited by admin on Sat Dec 16 07:11:46 GMT 2023
PRIMARY