80997-85-9
4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE
Name
4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE
Formula
C16 H13 N3 . C H4 O3 S
MolWeight
343.405
1Identification
【Name】
4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE
【CAS】
【MDL】
MFCD00013147
【English Synonyms】
【Formula】
C16 H13 N3 . C H4 O3 S
【MolWeight】
343.405
【Inchi】
InChI=1S/C16H13N3.CH4O3S/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12;1-5(2,3)4/h1-4,7-10H,5-6H2,(H,18,19);1H3,(H,2,3,4)
【InChIKey】
InChIKey=SGKSWXAABLWFHI-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)O.c1ccc-2c(c1)CCc3c2n[nH]c3c4ccncc4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE.cml
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