535948-50-6
4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H10 Cl N3 O5 S
MolWeight
379.779
1Identification
【Name】
4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572062
【English Synonyms】
【Formula】
C15 H10 Cl N3 O5 S
【MolWeight】
379.779
【Inchi】
InChI=1S/C15H10ClN3O5S/c16-11-6-3-9(7-12(11)19(23)24)13(20)18-15(25)17-10-4-1-8(2-5-10)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)
【InChIKey】
InChIKey=WUVBGJSECLWTRQ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U79780 nullnull
Country/Region:United States
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