433698-94-3
3-[3-(4-CHLORO-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID
Name
3-[3-(4-CHLORO-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID
Formula
C16 H13 Cl N2 O3 S
MolWeight
348.809
1Identification
【Name】
3-[3-(4-CHLORO-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03246112
【English Synonyms】
【Formula】
C16 H13 Cl N2 O3 S
【MolWeight】
348.809
【Inchi】
InChI=1S/C16H13ClN2O3S/c1-9-2-3-11(15(21)22)8-13(9)18-16(23)19-14(20)10-4-6-12(17)7-5-10/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=OCZPIPVMJMMIIM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)c2ccc(cc2)Cl)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
3-[3-(4-CHLORO-BENZOYL)-THIOUREIDO]-4-METHYL-BENZOIC ACID.cml
Quick Release
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Catalog No:U89872 nullnull
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