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28525-13-5
4-(PHENYLSULFONYL)BENZONITRILE
Name
4-(PHENYLSULFONYL)BENZONITRILE
Formula
C13 H9 N O2 S
MolWeight
243.285
1Identification
【Name】
4-(PHENYLSULFONYL)BENZONITRILE
【CAS】
【MDL】
MFCD00159171
【English Synonyms】
【Formula】
C13 H9 N O2 S
【MolWeight】
243.285
【Inchi】
InChI=1S/C13H9NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H
【InChIKey】
InChIKey=LJGXGJNDLQYPQK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(PHENYLSULFONYL)BENZONITRILE.cml
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Country/Region:China
Business Type:Trading Company
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