532386-42-8
3,5-DICHLORO-2-[[[[(4-CHLOROPHENYL)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DICHLORO-2-[[[[(4-CHLOROPHENYL)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H11 Cl3 N2 O3 S
MolWeight
417.699
1Identification
【Name】
3,5-DICHLORO-2-[[[[(4-CHLOROPHENYL)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569313
【English Synonyms】
【Formula】
C16 H11 Cl3 N2 O3 S
【MolWeight】
417.699
【Inchi】
InChI=1S/C16H11Cl3N2O3S/c17-9-3-1-8(2-4-9)5-13(22)20-16(25)21-14-11(15(23)24)6-10(18)7-12(14)19/h1-4,6-7H,5H2,(H,23,24)(H2,20,21,22,25)
【InChIKey】
InChIKey=FJLGACOVPBIMBN-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CC(=O)NC(=S)Nc2c(cc(cc2Cl)Cl)C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DICHLORO-2-[[[[(4-CHLOROPHENYL)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U88104 nullnull
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