532422-32-5
3,5-DIBROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DIBROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H8 Br2 Cl2 N2 O3 S
1Identification
【Name】
3,5-DIBROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568277
【English Synonyms】
【Formula】
C15 H8 Br2 Cl2 N2 O3 S
【MolWeight】
527.019
【Inchi】
InChI=1S/C15H8Br2Cl2N2O3S/c16-6-4-8(14(23)24)12(9(17)5-6)20-15(25)21-13(22)7-2-1-3-10(18)11(7)19/h1-5H,(H,23,24)(H2,20,21,22,25)
【InChIKey】
InChIKey=BEXNTWIHQAHGTC-UHFFFAOYSA-N
【SMILES】
c1cc(c(c(c1)Cl)Cl)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
3,5-DIBROMO-2-[[[(2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(2,3-DICHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml