531541-16-9
2-CHLORO-5-[3-(3-PROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
2-CHLORO-5-[3-(3-PROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C18 H17 Cl N2 O4 S
MolWeight
392.861
1Identification
【Name】
2-CHLORO-5-[3-(3-PROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03453816
【English Synonyms】
【Formula】
C18 H17 Cl N2 O4 S
【MolWeight】
392.861
【Inchi】
InChI=1S/C18H17ClN2O4S/c1-2-8-25-13-5-3-4-11(9-13)16(22)21-18(26)20-12-6-7-15(19)14(10-12)17(23)24/h3-7,9-10H,2,8H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=AYDUVPHRZFPART-UHFFFAOYSA-N
【SMILES】
CCCOc1cccc(c1)C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[3-(3-PROPOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
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