532418-16-9
2-CHLORO-5-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-CHLORO-5-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Cl2 N3 O5 S
MolWeight
414.224
1Identification
【Name】
2-CHLORO-5-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569823
【English Synonyms】
【Formula】
C15 H9 Cl2 N3 O5 S
【MolWeight】
414.224
【Inchi】
InChI=1S/C15H9Cl2N3O5S/c16-11-4-1-7(5-10(11)14(22)23)18-15(26)19-13(21)9-3-2-8(20(24)25)6-12(9)17/h1-6H,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=QLEWBVYXYAHVLM-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1NC(=S)NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-5-[[[(2-CHLORO-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U81929 nullnull
Country/Region:United States
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