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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6ClNO4
Molecular Weight 215.591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde

SMILES

OC1=C(C=O)C=C(C=C1CCl)[N+]([O-])=O

InChI

InChIKey=VPZKJFJWKLYFQD-UHFFFAOYSA-N
InChI=1S/C8H6ClNO4/c9-3-5-1-7(10(13)14)2-6(4-11)8(5)12/h1-2,4,12H,3H2

HIDE SMILES / InChI

Molecular Formula C8H6ClNO4
Molecular Weight 215.591
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 12:58:03 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:03 GMT 2023
Record UNII
ZX3AXU63T2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Chloromethyl)-2-hydroxy-5-nitrobenzaldehyde
Systematic Name English
2-Hydroxy-3-(chloromethyl)-5-nitrobenzaldehyde
Systematic Name English
3-Chloromethyl-5-nitrosalicylaldehyde
Systematic Name English
2,3-Cresotaldehyde, α-chloro-5-nitro-
Systematic Name English
SALICYLALDEHYDE, 3-CHLOROMETHYL-5-NITRO-
Systematic Name English
Benzaldehyde, 3-(chloromethyl)-2-hydroxy-5-nitro-
Systematic Name English
NSC-221280
Code English
Code System Code Type Description
CAS
16644-30-7
Created by admin on Sat Dec 16 12:58:03 GMT 2023 , Edited by admin on Sat Dec 16 12:58:03 GMT 2023
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NSC
221280
Created by admin on Sat Dec 16 12:58:03 GMT 2023 , Edited by admin on Sat Dec 16 12:58:03 GMT 2023
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FDA UNII
ZX3AXU63T2
Created by admin on Sat Dec 16 12:58:03 GMT 2023 , Edited by admin on Sat Dec 16 12:58:03 GMT 2023
PRIMARY
PUBCHEM
99380
Created by admin on Sat Dec 16 12:58:03 GMT 2023 , Edited by admin on Sat Dec 16 12:58:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID10168105
Created by admin on Sat Dec 16 12:58:03 GMT 2023 , Edited by admin on Sat Dec 16 12:58:03 GMT 2023
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