530139-81-2
2-CHLORO-5-[3-(2,5-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
2-CHLORO-5-[3-(2,5-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C15 H9 Cl3 N2 O3 S
MolWeight
403.672
1Identification
【Name】
2-CHLORO-5-[3-(2,5-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564486
【English Synonyms】
【Formula】
C15 H9 Cl3 N2 O3 S
【MolWeight】
403.672
【Inchi】
InChI=1S/C15H9Cl3N2O3S/c16-7-1-3-11(17)9(5-7)13(21)20-15(24)19-8-2-4-12(18)10(6-8)14(22)23/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=TYANUURZQYOOHE-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1NC(=S)NC(=O)c2cc(ccc2Cl)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
2-CHLORO-5-[3-(2,5-DICHLORO-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
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