181073-82-5
4-CYANO-2,6-DIFLUOROBENZOIC ACID
Name
4-CYANO-2,6-DIFLUOROBENZOIC ACID
Formula
C8 H3 F2 N O2
MolWeight
183.113
1Identification
【Name】
4-CYANO-2,6-DIFLUOROBENZOIC ACID
【CAS】
【MDL】
MFCD09835199
【English Synonyms】
【Formula】
C8 H3 F2 N O2
【MolWeight】
183.113
【Inchi】
InChI=1S/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
【InChIKey】
InChIKey=QJDLXGDIYHMIDN-UHFFFAOYSA-N
【SMILES】
c1c(cc(c(c1F)C(=O)O)F)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-2,6-DIFLUOROBENZOIC ACID.cml
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Catalog No:4607 1 G
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