532388-91-3
2-CHLORO-5-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name2-CHLORO-5-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC17 H13 Br2 Cl N2 O4 S
1Identification
【Name】
2-CHLORO-5-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569536
【English Synonyms】
【Formula】
C17 H13 Br2 Cl N2 O4 S
【MolWeight】
536.627
【Inchi】
InChI=1S/C17H13Br2ClN2O4S/c1-8-4-9(18)5-12(19)15(8)26-7-14(23)22-17(27)21-10-2-3-13(20)11(6-10)16(24)25/h2-6H,7H2,1H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=OGYAJFXQDHPBRA-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1OCC(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl)Br)Br
【MOL File】
2-CHLORO-5-[[[[(2,4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml