530128-33-7
3-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C18 H14 Cl N3 O5 S
MolWeight
419.844
1Identification
【Name】
3-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03563758
【English Synonyms】
【Formula】
C18 H14 Cl N3 O5 S
【MolWeight】
419.844
【Inchi】
InChI=1S/C18H14ClN3O5S/c1-10-12(17(24)25)3-2-4-14(10)20-18(28)21-16(23)8-6-11-5-7-13(19)15(9-11)22(26)27/h2-9H,1H3,(H,24,25)(H2,20,21,23,28)/b8-6+
【InChIKey】
InChIKey=VXHUQZHTQLYTPV-SOFGYWHQSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)/C=C/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-[[[[3-(4-CHLORO-3-NITROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml
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Catalog No:U77930 nullnull
Country/Region:United States
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