531521-17-2
2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Name
2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
Formula
C15 H9 Cl I2 N2 O3 S
MolWeight
586.566
1Identification
【Name】
2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565877
【English Synonyms】
【Formula】
C15 H9 Cl I2 N2 O3 S
【MolWeight】
586.566
【Inchi】
InChI=1S/C15H9ClI2N2O3S/c16-8-3-1-7(2-4-8)13(21)20-15(24)19-12-10(14(22)23)5-9(17)6-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=KTELOCVJRARCDC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O)Cl
【MOL File】
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
2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-3,5-DIIODO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
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Catalog No:U85880 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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