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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12BrNO
Molecular Weight 254.123
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Bromo-5-tert-butyl-4-hydroxybenzonitrile

SMILES

CC(C)(C)C1=C(O)C(Br)=CC(=C1)C#N

InChI

InChIKey=VNGBEYAOVIWICC-UHFFFAOYSA-N
InChI=1S/C11H12BrNO/c1-11(2,3)8-4-7(6-13)5-9(12)10(8)14/h4-5,14H,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H12BrNO
Molecular Weight 254.123
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 13:08:32 GMT 2023
Edited
by admin
on Sat Dec 16 13:08:32 GMT 2023
Record UNII
K2TH8D4DRP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Bromo-5-tert-butyl-4-hydroxybenzonitrile
Systematic Name English
Benzonitrile, 3-bromo-5-(1,1-dimethylethyl)-4-hydroxy-
Systematic Name English
3-Bromo-5-(1,1-dimethylethyl)-4-hydroxybenzonitrile
Systematic Name English
Benzonitrile, 3-bromo-5-tert-butyl-4-hydroxy-
Systematic Name English
NSC-203309
Code English
Code System Code Type Description
FDA UNII
K2TH8D4DRP
Created by admin on Sat Dec 16 13:08:32 GMT 2023 , Edited by admin on Sat Dec 16 13:08:32 GMT 2023
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EPA CompTox
DTXSID10197692
Created by admin on Sat Dec 16 13:08:32 GMT 2023 , Edited by admin on Sat Dec 16 13:08:32 GMT 2023
PRIMARY
PUBCHEM
21018
Created by admin on Sat Dec 16 13:08:32 GMT 2023 , Edited by admin on Sat Dec 16 13:08:32 GMT 2023
PRIMARY
NSC
203309
Created by admin on Sat Dec 16 13:08:32 GMT 2023 , Edited by admin on Sat Dec 16 13:08:32 GMT 2023
PRIMARY
CAS
4910-06-9
Created by admin on Sat Dec 16 13:08:32 GMT 2023 , Edited by admin on Sat Dec 16 13:08:32 GMT 2023
PRIMARY