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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5ClN2
Molecular Weight 116.549
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chloro-1-methylimidazole

SMILES

CN1C=NC=C1Cl

InChI

InChIKey=NYDGOZPYEABERA-UHFFFAOYSA-N
InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C4H5ClN2
Molecular Weight 116.549
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 12:39:44 UTC 2023
Edited
by admin
on Sat Dec 16 12:39:44 UTC 2023
Record UNII
P3P78L5UT9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloro-1-methylimidazole
Systematic Name English
1H-Imidazole, 5-chloro-1-methyl-
Systematic Name English
5-Chloro-1-methyl-1H-imidazole
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50236175
Created by admin on Sat Dec 16 12:39:44 UTC 2023 , Edited by admin on Sat Dec 16 12:39:44 UTC 2023
PRIMARY
PUBCHEM
70105
Created by admin on Sat Dec 16 12:39:44 UTC 2023 , Edited by admin on Sat Dec 16 12:39:44 UTC 2023
PRIMARY
CAS
872-49-1
Created by admin on Sat Dec 16 12:39:44 UTC 2023 , Edited by admin on Sat Dec 16 12:39:44 UTC 2023
PRIMARY
FDA UNII
P3P78L5UT9
Created by admin on Sat Dec 16 12:39:44 UTC 2023 , Edited by admin on Sat Dec 16 12:39:44 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-827-6
Created by admin on Sat Dec 16 12:39:44 UTC 2023 , Edited by admin on Sat Dec 16 12:39:44 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY