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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9N5O3.ClH
Molecular Weight 259.65
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROGUANIL

SMILES

Cl.NC(=N)NC(=O)NC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=DPAWTAYKXUVQSN-UHFFFAOYSA-N
InChI=1S/C8H9N5O3.ClH/c9-7(10)12-8(14)11-5-1-3-6(4-2-5)13(15)16;/h1-4H,(H5,9,10,11,12,14);1H

HIDE SMILES / InChI

Molecular Formula C8H9N5O3
Molecular Weight 223.1888
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

Molecular Formula ClH
Molecular Weight 36.461
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

Substance Class Chemical
Record UNII
PRJ0MY312P
Record Status Validated (UNII)
Record Version