U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H6BrNO4
Molecular Weight 211.999
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BROMO-5-NITRO-1,3-DIOXANE

SMILES

[O-][N+](=O)C1(Br)COCOC1

InChI

InChIKey=XVBRCOKDZVQYAY-UHFFFAOYSA-N
InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2

HIDE SMILES / InChI

Molecular Formula C4H6BrNO4
Molecular Weight 211.999
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
U184I9QBNM
Record Status Validated (UNII)
Record Version