Butyl tribromoacetate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H9Br3O2
Molecular Weight	352.846
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Butyl tribromoacetate

Structure Search

SMILES

CCCCOC(=O)C(Br)(Br)Br

InChI

InChIKey=NZZXSGDOZVVHAM-UHFFFAOYSA-N

InChI=1S/C6H9Br3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H9Br3O2
Molecular Weight	352.846
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 12:34:29 GMT 2023` Edited by `admin` on `Sat Dec 16 12:34:29 GMT 2023`
Record UNII	UX52Q2TV2G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butyl tribromoacetate

Systematic Name

English

Butyl 2,2,2-tribromoacetate

Systematic Name

English

Acetic acid, 2,2,2-tribromo-, butyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

261-991-5

Created by admin on Sat Dec 16 12:34:29 GMT 2023 , Edited by admin on Sat Dec 16 12:34:29 GMT 2023

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PUBCHEM

108860

Created by admin on Sat Dec 16 12:34:29 GMT 2023 , Edited by admin on Sat Dec 16 12:34:29 GMT 2023

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CAS

59956-61-5

Created by admin on Sat Dec 16 12:34:29 GMT 2023 , Edited by admin on Sat Dec 16 12:34:29 GMT 2023

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FDA UNII

UX52Q2TV2G

Created by admin on Sat Dec 16 12:34:29 GMT 2023 , Edited by admin on Sat Dec 16 12:34:29 GMT 2023

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EPA CompTox

DTXSID80208668

Created by admin on Sat Dec 16 12:34:29 GMT 2023 , Edited by admin on Sat Dec 16 12:34:29 GMT 2023

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