533919-29-8
3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H11 I2 N3 O6 S
MolWeight
627.144
1Identification
【Name】
3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03568896
【English Synonyms】
【Formula】
C16 H11 I2 N3 O6 S
【MolWeight】
627.144
【Inchi】
InChI=1S/C16H11I2N3O6S/c1-27-12-3-2-7(4-11(12)21(25)26)14(22)20-16(28)19-13-9(15(23)24)5-8(17)6-10(13)18/h2-6H,1H3,(H,23,24)(H2,19,20,22,28)
【InChIKey】
InChIKey=KBSOGCRSLHHXBY-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1[N+](=O)[O-])C(=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
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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