531547-19-0
3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C16 H12 Cl N3 O5 S
MolWeight
393.806
1Identification
【Name】
3-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03566623
【English Synonyms】
【Formula】
C16 H12 Cl N3 O5 S
【MolWeight】
393.806
【Inchi】
InChI=1S/C16H12ClN3O5S/c1-8-10(15(22)23)3-2-4-12(8)18-16(26)19-14(21)9-5-6-11(17)13(7-9)20(24)25/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=OHLGIKMGIPBEDV-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)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-[[[(4-CHLORO-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml
Quick Release
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Catalog No:U90826 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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