532429-65-5
4-[3-(3-CHLORO-4-METHYL-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
4-[3-(3-CHLORO-4-METHYL-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C16 H13 Cl N2 O3 S
MolWeight
348.809
1Identification
【Name】
4-[3-(3-CHLORO-4-METHYL-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570051
【English Synonyms】
【Formula】
C16 H13 Cl N2 O3 S
【MolWeight】
348.809
【Inchi】
InChI=1S/C16H13ClN2O3S/c1-9-2-3-11(8-13(9)17)14(20)19-16(23)18-12-6-4-10(5-7-12)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=SMNFJOIZZREXRM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Cl)C(=O)NC(=S)Nc2ccc(cc2)C(=O)O
【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
4-[3-(3-CHLORO-4-METHYL-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
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