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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15ClN2O6
Molecular Weight 330.721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-TERT-BUTYL-2,4-DINITRO-3-METHYLPHENOL CHLOROACETATE

SMILES

CC1=C(C=C(C(OC(=O)CCl)=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O

InChI

InChIKey=JRKZLGWGNZPRNC-UHFFFAOYSA-N
InChI=1S/C13H15ClN2O6/c1-7-9(15(18)19)5-8(13(2,3)4)12(11(7)16(20)21)22-10(17)6-14/h5H,6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H15ClN2O6
Molecular Weight 330.721
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 12:40:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:47 GMT 2023
Record UNII
BAE1GZ13K3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-TERT-BUTYL-2,4-DINITRO-3-METHYLPHENOL CHLOROACETATE
Common Name English
PHENOL, 6-TERT-BUTYL-2,4-DINITRO-3-METHYL-, CHLOROACETATE
Systematic Name English
ACETIC ACID, 2-CHLORO-, 6-(1,1-DIMETHYLETHYL)-3-METHYL-2,4-DINITROPHENYL ESTER
Systematic Name English
NSC-194854
Code English
Code System Code Type Description
CAS
17317-16-7
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
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FDA UNII
BAE1GZ13K3
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
PRIMARY
NSC
194854
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
PRIMARY
PUBCHEM
99194
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
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EPA CompTox
DTXSID50169535
Created by admin on Sat Dec 16 12:40:47 GMT 2023 , Edited by admin on Sat Dec 16 12:40:47 GMT 2023
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