531535-68-9
2-CHLORO-5-[3-(3-METHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
2-CHLORO-5-[3-(3-METHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C16 H13 Cl N2 O4 S
MolWeight
364.808
1Identification
【Name】
2-CHLORO-5-[3-(3-METHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03566864
【English Synonyms】
【Formula】
C16 H13 Cl N2 O4 S
【MolWeight】
364.808
【Inchi】
InChI=1S/C16H13ClN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-10-5-6-13(17)12(8-10)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)
【InChIKey】
InChIKey=YJOGCPFPWBFJHJ-UHFFFAOYSA-N
【SMILES】
COc1cccc(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
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[3-(3-METHOXY-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
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