531519-69-4
3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H11 I2 N3 O6 S
MolWeight
627.144
1Identification
【Name】
3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03565761
【English Synonyms】
【Formula】
C16 H11 I2 N3 O6 S
【MolWeight】
627.144
【Inchi】
InChI=1S/C16H11I2N3O6S/c17-8-5-11(15(23)24)14(12(18)6-8)20-16(28)19-13(22)7-27-10-3-1-9(2-4-10)21(25)26/h1-6H,7H2,(H,23,24)(H2,19,20,22,28)
【InChIKey】
InChIKey=OHDCXIMWRSPLGI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])OCC(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[[(4-NITROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
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Catalog No:U76046 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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