50793-86-7
4-CYANOPHENYL 4-OCTYLBENZOATE
Name
4-CYANOPHENYL 4-OCTYLBENZOATE
Formula
C22 H25 N O2
MolWeight
335.444
1Identification
【Name】
4-CYANOPHENYL 4-OCTYLBENZOATE
【CAS】
【MDL】
MFCD00799366
【English Synonyms】
【Formula】
C22 H25 N O2
【MolWeight】
335.444
【Inchi】
InChI=1S/C22H25NO2/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)22(24)25-21-15-11-19(17-23)12-16-21/h9-16H,2-8H2,1H3
【InChIKey】
InChIKey=SWACKDWUUGZDRD-UHFFFAOYSA-N
【SMILES】
CCCCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANOPHENYL 4-OCTYLBENZOATE.cml
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Catalog No:50793-86-7 up to kgs
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Catalog No:ATM50793867 up to kgs
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Catalog No:3B3-077991 25G
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IcanChemical Ltd.
Catalog No:ICC-017456 1G
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TimTec LLC
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