532385-49-2
3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C16 H12 Cl N3 O5 S
MolWeight
393.806
1Identification
【Name】
3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03569234
【English Synonyms】
【Formula】
C16 H12 Cl N3 O5 S
【MolWeight】
393.806
【Inchi】
InChI=1S/C16H12ClN3O5S/c1-8-10(15(22)23)3-2-4-13(8)18-16(26)19-14(21)11-7-9(20(24)25)5-6-12(11)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=JIMNKXYNLQAPLQ-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])C(=O)O
【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
3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml
Quick Release
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Catalog No:U78912 nullnull
Country/Region:United States
Business Type:Trading Company
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