59-63-2
ISOCARBOXAZID
Name
ISOCARBOXAZID
Formula
C12 H13 N3 O2
MolWeight
231.254
1Identification
【Name】
ISOCARBOXAZID
【CAS】
【MDL】
MFCD00865409
【English Synonyms】
【Formula】
C12 H13 N3 O2
【MolWeight】
231.254
【Inchi】
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
【InChIKey】
InChIKey=XKFPYPQQHFEXRZ-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)C(=O)NNCc2ccccc2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
ISOCARBOXAZID.cml
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