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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13ClO
Molecular Weight 184.663
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TERT-BUTYL-2-CHLOROPHENOL

SMILES

CC(C)(C)C1=CC(Cl)=C(O)C=C1

InChI

InChIKey=PRLINSMUYJWPBL-UHFFFAOYSA-N
InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H13ClO
Molecular Weight 184.663
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 Mon Mar 31 21:52:44 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:44 GMT 2025
Record UNII
XAP5L8U19Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-8464
Preferred Name English
4-TERT-BUTYL-2-CHLOROPHENOL
Systematic Name English
PHENOL, 2-CHLORO-4-(1,1-DIMETHYLETHYL)-
Systematic Name English
2-CHLORO-4-TERT-BUTYLPHENOL
Systematic Name English
2-CHLORO-4-(1,1-DIMETHYLETHYL)PHENOL
Systematic Name English
Code System Code Type Description
NSC
8464
Created by admin on Mon Mar 31 21:52:44 GMT 2025 , Edited by admin on Mon Mar 31 21:52:44 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-652-3
Created by admin on Mon Mar 31 21:52:44 GMT 2025 , Edited by admin on Mon Mar 31 21:52:44 GMT 2025
PRIMARY
CAS
98-28-2
Created by admin on Mon Mar 31 21:52:44 GMT 2025 , Edited by admin on Mon Mar 31 21:52:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID0059164
Created by admin on Mon Mar 31 21:52:44 GMT 2025 , Edited by admin on Mon Mar 31 21:52:44 GMT 2025
PRIMARY
FDA UNII
XAP5L8U19Y
Created by admin on Mon Mar 31 21:52:44 GMT 2025 , Edited by admin on Mon Mar 31 21:52:44 GMT 2025
PRIMARY
PUBCHEM
7380
Created by admin on Mon Mar 31 21:52:44 GMT 2025 , Edited by admin on Mon Mar 31 21:52:44 GMT 2025
PRIMARY