532938-57-1
5-CHLORO-2-[[[(2-FLUOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name5-CHLORO-2-[[[(2-FLUOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
FormulaC15 H10 Cl F N2 O3 S
1Identification
【Name】
5-CHLORO-2-[[[(2-FLUOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568573
【English Synonyms】
【Formula】
C15 H10 Cl F N2 O3 S
【MolWeight】
352.772
【Inchi】
InChI=1S/C15H10ClFN2O3S/c16-8-5-6-12(10(7-8)14(21)22)18-15(23)19-13(20)9-3-1-2-4-11(9)17/h1-7H,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=SLZWCRFAYZURGS-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl)F
【MOL File】
5-CHLORO-2-[[[(2-FLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-2-[[[(2-FLUOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml