2-ACETOXY-5-NITROBENZYL CHLORIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8ClNO4
Molecular Weight	229.617
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ACETOXY-5-NITROBENZYL CHLORIDE

Structure Search

SMILES

CC(=O)OC1=C(CCl)C=C(C=C1)[N+]([O-])=O

InChI

InChIKey=XLEUIPVVUKAVGL-UHFFFAOYSA-N

InChI=1S/C9H8ClNO4/c1-6(12)15-9-3-2-8(11(13)14)4-7(9)5-10/h2-4H,5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H8ClNO4
Molecular Weight	229.617
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 08:26:07 GMT 2023` Edited by `admin` on `Sat Dec 16 08:26:07 GMT 2023`
Record UNII	9506KY62X7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ACETOXY-5-NITROBENZYL CHLORIDE

Systematic Name

English

O-CRESOL, .ALPHA.-CHLORO-4-NITRO-, ACETATE (ESTER)

Systematic Name

English

PHENOL, 2-(CHLOROMETHYL)-4-NITRO-, ACETATE (ESTER)

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

296100

Created by admin on Sat Dec 16 08:26:07 GMT 2023 , Edited by admin on Sat Dec 16 08:26:07 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID3047423

Created by admin on Sat Dec 16 08:26:07 GMT 2023 , Edited by admin on Sat Dec 16 08:26:07 GMT 2023

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FDA UNII

9506KY62X7

Created by admin on Sat Dec 16 08:26:07 GMT 2023 , Edited by admin on Sat Dec 16 08:26:07 GMT 2023

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PUBCHEM

21619272

Created by admin on Sat Dec 16 08:26:07 GMT 2023 , Edited by admin on Sat Dec 16 08:26:07 GMT 2023

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CAS

5174-32-3

Created by admin on Sat Dec 16 08:26:07 GMT 2023 , Edited by admin on Sat Dec 16 08:26:07 GMT 2023

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