532960-82-0
3-[3-(3-CHLORO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID
Name
3-[3-(3-CHLORO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID
Formula
C17 H15 Cl N2 O4 S
MolWeight
378.835
1Identification
【Name】
3-[3-(3-CHLORO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03242179
【English Synonyms】
【Formula】
C17 H15 Cl N2 O4 S
【MolWeight】
378.835
【Inchi】
InChI=1S/C17H15ClN2O4S/c1-9-3-4-11(16(22)23)8-13(9)19-17(25)20-15(21)10-5-6-14(24-2)12(18)7-10/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=CMDJAZFITZBULO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)c2ccc(c(c2)Cl)OC)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[3-(3-CHLORO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID.cml
Quick Release
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Catalog No:U90234 nullnull
Country/Region:United States
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