5-Chlorovanillin

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7ClO3
Molecular Weight	186.592
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Chlorovanillin

Structure Search

SMILES

COC1=C(O)C(Cl)=CC(C=O)=C1

InChI

InChIKey=ONIVKFDMLVBDRK-UHFFFAOYSA-N

InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H7ClO3
Molecular Weight	186.592
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 12:22:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:22:38 GMT 2023`
Record UNII	6L2HJ5NXQ8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-Chlorovanillin

Systematic Name

English

3-Chloro-4-hydroxy-5-methoxybenzaldehyde

Systematic Name

English

NSC-45929

Code

English

Vanillin, 5-chloro-

Systematic Name

English

Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID9075161

Created by admin on Sat Dec 16 12:22:38 GMT 2023 , Edited by admin on Sat Dec 16 12:22:38 GMT 2023

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PUBCHEM

29622

Created by admin on Sat Dec 16 12:22:38 GMT 2023 , Edited by admin on Sat Dec 16 12:22:38 GMT 2023

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CAS

19463-48-0

Created by admin on Sat Dec 16 12:22:38 GMT 2023 , Edited by admin on Sat Dec 16 12:22:38 GMT 2023

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NSC

45929

Created by admin on Sat Dec 16 12:22:38 GMT 2023 , Edited by admin on Sat Dec 16 12:22:38 GMT 2023

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ECHA (EC/EINECS)

243-086-7

Created by admin on Sat Dec 16 12:22:38 GMT 2023 , Edited by admin on Sat Dec 16 12:22:38 GMT 2023

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FDA UNII

6L2HJ5NXQ8

Created by admin on Sat Dec 16 12:22:38 GMT 2023 , Edited by admin on Sat Dec 16 12:22:38 GMT 2023

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