3,3,4,4,5,5,6,6,6-Nonafluorohexyl nitrate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H4F9NO3
Molecular Weight	309.0865
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,3,4,4,5,5,6,6,6-Nonafluorohexyl nitrate

Structure Search

SMILES

[O-][N+](=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=JTINRXZCXXXKMA-UHFFFAOYSA-N

InChI=1S/C6H4F9NO3/c7-3(8,1-2-19-16(17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2

HIDE SMILES / InChI

Molecular Formula	C6H4F9NO3
Molecular Weight	309.0865
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 17:53:58 GMT 2025` Edited by `admin` on `Tue Apr 01 17:53:58 GMT 2025`
Record UNII	ZU5Z3SYA77
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3,4,4,5,5,6,6,6-Nonafluorohexyl nitrate

Systematic Name

English

1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-, 1-nitrate

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID70188389

Created by admin on Tue Apr 01 17:53:58 GMT 2025 , Edited by admin on Tue Apr 01 17:53:58 GMT 2025

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ECHA (EC/EINECS)

252-239-7

Created by admin on Tue Apr 01 17:53:58 GMT 2025 , Edited by admin on Tue Apr 01 17:53:58 GMT 2025

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CAS

34839-44-6

Created by admin on Tue Apr 01 17:53:58 GMT 2025 , Edited by admin on Tue Apr 01 17:53:58 GMT 2025

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FDA UNII

ZU5Z3SYA77

Created by admin on Tue Apr 01 17:53:58 GMT 2025 , Edited by admin on Tue Apr 01 17:53:58 GMT 2025

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PUBCHEM

3015716

Created by admin on Tue Apr 01 17:53:58 GMT 2025 , Edited by admin on Tue Apr 01 17:53:58 GMT 2025

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