535977-83-4
5-CHLORO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-CHLORO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H12 Cl N3 O5 S
MolWeight
393.806
1Identification
【Name】
5-CHLORO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573099
【English Synonyms】
【Formula】
C16 H12 Cl N3 O5 S
【MolWeight】
393.806
【Inchi】
InChI=1S/C16H12ClN3O5S/c1-8-2-3-9(6-13(8)20(24)25)14(21)19-16(26)18-12-5-4-10(17)7-11(12)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=WBGHMXVWHKTNHY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=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
5-CHLORO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U82896 nullnull
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Catalog No:U82896 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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