533922-44-0
4-CHLORO-3-[3-(2,4-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
4-CHLORO-3-[3-(2,4-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C15 H9 Cl3 N2 O3 S
MolWeight
403.672
1Identification
【Name】
4-CHLORO-3-[3-(2,4-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569170
【English Synonyms】
【Formula】
C15 H9 Cl3 N2 O3 S
【MolWeight】
403.672
【Inchi】
InChI=1S/C15H9Cl3N2O3S/c16-8-2-3-9(11(18)6-8)13(21)20-15(24)19-12-5-7(14(22)23)1-4-10(12)17/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=JRXLKANAWNQMGJ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)NC(=S)NC(=O)c2ccc(cc2Cl)Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[3-(2,4-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
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Catalog No:U84353 nullnull
Country/Region:United States
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