535965-30-1
5-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID
Name5-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID
FormulaC19 H12 Br Cl N2 O4 S
1Identification
【Name】
5-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03572803
【English Synonyms】
【Formula】
C19 H12 Br Cl N2 O4 S
【MolWeight】
479.737
【Inchi】
InChI=1S/C19H12BrClN2O4S/c20-11-3-1-10(2-4-11)15-7-8-16(27-15)17(24)23-19(28)22-12-5-6-14(21)13(9-12)18(25)26/h1-9H,(H,25,26)(H2,22,23,24,28)
【InChIKey】
InChIKey=JININBPEYKVCLV-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2ccc(o2)C(=O)NC(=S)Nc3ccc(c(c3)C(=O)O)Cl)Br
【MOL File】
5-[[[[[5-(4-BROMOPHE….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
5-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID.cml