23892-21-9
3-(2-FLUOROPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
Name
3-(2-FLUOROPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
Formula
C14 H9 F N2 O S
MolWeight
272.302
1Identification
【Name】
3-(2-FLUOROPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD00994441
【English Synonyms】
【Formula】
C14 H9 F N2 O S
【MolWeight】
272.302
【Inchi】
InChI=1S/C14H9FN2OS/c15-10-6-2-4-8-12(10)17-13(18)9-5-1-3-7-11(9)16-14(17)19/h1-8H,(H,16,19)
【InChIKey】
InChIKey=JRHDFWPLWWDYPU-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)n(c(=S)[nH]2)c3ccccc3F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-FLUOROPHENYL)-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE.cml
Quick Release
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