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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9ClF3NO.ClH
Molecular Weight 276.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(CHLOROMETHYL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINE HYDROCHLORIDE

SMILES

Cl.CC1=C(OCC(F)(F)F)C=CN=C1CCl

InChI

InChIKey=CMZBQUWICURDCD-UHFFFAOYSA-N
InChI=1S/C9H9ClF3NO.ClH/c1-6-7(4-10)14-3-2-8(6)15-5-9(11,12)13;/h2-3H,4-5H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H9ClF3NO
Molecular Weight 239.622
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 18:26:12 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:12 GMT 2023
Record UNII
75QFD5BT69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(CHLOROMETHYL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINE HYDROCHLORIDE
Systematic Name English
PYRIDINE, 2-(CHLOROMETHYL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40584470
Created by admin on Sat Dec 16 18:26:12 GMT 2023 , Edited by admin on Sat Dec 16 18:26:12 GMT 2023
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FDA UNII
75QFD5BT69
Created by admin on Sat Dec 16 18:26:12 GMT 2023 , Edited by admin on Sat Dec 16 18:26:12 GMT 2023
PRIMARY
PUBCHEM
16217647
Created by admin on Sat Dec 16 18:26:12 GMT 2023 , Edited by admin on Sat Dec 16 18:26:12 GMT 2023
PRIMARY
CAS
127337-60-4
Created by admin on Sat Dec 16 18:26:12 GMT 2023 , Edited by admin on Sat Dec 16 18:26:12 GMT 2023
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Related Record Type Details
PARENT -> SALT/SOLVATE