3-(BROMOMETHYL)-6-(TERT-BUTYL)-2,4-XYLENOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H19BrO
Molecular Weight	271.193
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(BROMOMETHYL)-6-(TERT-BUTYL)-2,4-XYLENOL

Structure Search

SMILES

CC1=C(CBr)C(C)=C(O)C(=C1)C(C)(C)C

InChI

InChIKey=FWQNVJNDLOHEOS-UHFFFAOYSA-N

InChI=1S/C13H19BrO/c1-8-6-11(13(3,4)5)12(15)9(2)10(8)7-14/h6,15H,7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C13H19BrO
Molecular Weight	271.193
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 `Tue Apr 01 17:40:46 GMT 2025` Edited by `admin` on `Tue Apr 01 17:40:46 GMT 2025`
Record UNII	B68WA78W6C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(BROMOMETHYL)-6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYLPHENOL

Preferred Name

English

3-(BROMOMETHYL)-6-(TERT-BUTYL)-2,4-XYLENOL

Systematic Name

English

PHENOL, 3-(BROMOMETHYL)-6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

93982-04-8

Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025

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EPA CompTox

DTXSID80240109

Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025

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PUBCHEM

21391627

Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025

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ECHA (EC/EINECS)

301-193-7

Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025

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FDA UNII

B68WA78W6C

Created by admin on Tue Apr 01 17:40:46 GMT 2025 , Edited by admin on Tue Apr 01 17:40:46 GMT 2025

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