532408-10-9
2-CHLORO-5-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-CHLORO-5-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H10 Cl N3 O5 S
MolWeight
379.779
1Identification
【Name】
2-CHLORO-5-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03567799
【English Synonyms】
【Formula】
C15 H10 Cl N3 O5 S
【MolWeight】
379.779
【Inchi】
InChI=1S/C15H10ClN3O5S/c16-12-6-3-9(7-11(12)14(21)22)17-15(25)18-13(20)8-1-4-10(5-2-8)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)
【InChIKey】
InChIKey=CWCLEOYYGLWJPQ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl)[N+](=O)[O-]
【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
2-CHLORO-5-[[[(4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U88242 nullnull
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