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Details

Stereochemistry RACEMIC
Molecular Formula C10H13Br
Molecular Weight 213.114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BROMO-4-(SEC-BUTYL)BENZENE

SMILES

CCC(C)C1=CC=C(Br)C=C1

InChI

InChIKey=DGZQEAKNZXNTNL-UHFFFAOYSA-N
InChI=1S/C10H13Br/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H13Br
Molecular Weight 213.114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:25:59 GMT 2025
Edited
by admin
on Wed Apr 02 10:25:59 GMT 2025
Record UNII
3CG9DT5TLT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BROMO-4-(SEC-BUTYL)BENZENE
Common Name English
1-BROMO-4-(BUTAN-2-YL)BENZENE
Preferred Name English
BENZENE, 1-BROMO-4-(1-METHYLPROPYL)-
Systematic Name English
1-BROMO-4-(1-METHYLPROPYL)BENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
3016060
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY
CAS
39220-69-4
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID70959995
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY
FDA UNII
3CG9DT5TLT
Created by admin on Wed Apr 02 10:25:59 GMT 2025 , Edited by admin on Wed Apr 02 10:25:59 GMT 2025
PRIMARY