532977-86-9
2-CHLORO-5-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-CHLORO-5-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H10 Cl I N2 O3 S
MolWeight
460.674
1Identification
【Name】
2-CHLORO-5-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03453789
【English Synonyms】
【Formula】
C15 H10 Cl I N2 O3 S
【MolWeight】
460.674
【Inchi】
InChI=1S/C15H10ClIN2O3S/c16-12-5-4-10(7-11(12)14(21)22)18-15(23)19-13(20)8-2-1-3-9(17)6-8/h1-7H,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=BWJOCBXVUMLIMB-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)I)C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[[[(3-IODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
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