51-58-1
NITROGUANIL
Name
NITROGUANIL
Formula
C8 H9 N5 O3 . Cl H
MolWeight
259.652
1Identification
【Name】
NITROGUANIL
【CAS】
【MDL】
MFCD01676994
【English Synonyms】
【Formula】
C8 H9 N5 O3 . Cl H
【MolWeight】
259.652
【Inchi】
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
【InChIKey】
InChIKey=DPAWTAYKXUVQSN-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1NC(=O)NC(=N)N)[N+](=O)[O-].Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NITROGUANIL.cml
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