912569-60-9
3-(3-ISOCYANATOPHENYL)-1-METHYL-1H-PYRAZOLE
Name
3-(3-ISOCYANATOPHENYL)-1-METHYL-1H-PYRAZOLE
Formula
C11 H9 N3 O
MolWeight
199.212
1Identification
【Name】
3-(3-ISOCYANATOPHENYL)-1-METHYL-1H-PYRAZOLE
【CAS】
【MDL】
MFCD09817504
【English Synonyms】
【Formula】
C11 H9 N3 O
【MolWeight】
199.212
【Inchi】
InChI=1S/C11H9N3O/c1-14-6-5-11(13-14)9-3-2-4-10(7-9)12-8-15/h2-7H,1H3
【InChIKey】
InChIKey=TWBLKMXEBFQFKR-UHFFFAOYSA-N
【SMILES】
Cn1ccc(n1)c2cccc(c2)N=C=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
3-(3-ISOCYANATOPHENYL)-1-METHYL-1H-PYRAZOLE.cml
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