532951-41-0
3,5-DIBROMO-2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name3,5-DIBROMO-2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H9 Br2 Cl N2 O3 S
1Identification
【Name】
3,5-DIBROMO-2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574115
【English Synonyms】
【Formula】
C15 H9 Br2 Cl N2 O3 S
【MolWeight】
492.574
【Inchi】
InChI=1S/C15H9Br2ClN2O3S/c16-8-5-10(14(22)23)12(11(17)6-8)19-15(24)20-13(21)7-2-1-3-9(18)4-7/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=ULLQDLZXQHVGLT-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)C(=O)NC(=S)Nc2c(cc(cc2Br)Br)C(=O)O
【MOL File】
3,5-DIBROMO-2-[[[(3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIBROMO-2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml