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Details

Stereochemistry RACEMIC
Molecular Formula C13H14ClNO2
Molecular Weight 251.709
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-(4-CHLOROPHENYL)-2-ETHYL-1,3-DIOXOLANE-2-ACETONITRILE

SMILES

CCC1(OCCO1)C(C#N)C2=CC=C(Cl)C=C2

InChI

InChIKey=YZCAFLAEZJEYSA-UHFFFAOYSA-N
InChI=1S/C13H14ClNO2/c1-2-13(16-7-8-17-13)12(9-15)10-3-5-11(14)6-4-10/h3-6,12H,2,7-8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
.ALPHA.-(4-CHLOROPHENYL)-2-ETHYL-1,3-DIOXOLANE-2-ACETONITRILE
Systematic Name English
(4-CHLOROPHENYL)(2-ETHYL-1,3-DIOXOLAN-2-YL)ACETONITRILE
Systematic Name English
(.XI.)-(4-CHLOROPHENYL)(2-ETHYL-1,3-DIOXOLAN-2-YL)ACETONITRILE
Systematic Name English
PYRIMETHAMINE IMPURITY D [EP IMPURITY]
Common Name English
1,3-DIOXOLANE-2-ACETONITRILE, .ALPHA.-(4-CHLOROPHENYL)-2-ETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
259-657-9
Created by admin on Sat Dec 16 14:54:38 GMT 2023 , Edited by admin on Sat Dec 16 14:54:38 GMT 2023
PRIMARY
FDA UNII
J73V5ELE7D
Created by admin on Sat Dec 16 14:54:38 GMT 2023 , Edited by admin on Sat Dec 16 14:54:38 GMT 2023
PRIMARY
CAS
55474-41-4
Created by admin on Sat Dec 16 14:54:38 GMT 2023 , Edited by admin on Sat Dec 16 14:54:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID80970818
Created by admin on Sat Dec 16 14:54:38 GMT 2023 , Edited by admin on Sat Dec 16 14:54:38 GMT 2023
PRIMARY
PUBCHEM
6453187
Created by admin on Sat Dec 16 14:54:38 GMT 2023 , Edited by admin on Sat Dec 16 14:54:38 GMT 2023
PRIMARY
NIH
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