532417-18-8
4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Name
4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
Formula
C16 H12 Cl N3 O6 S
MolWeight
409.805
1Identification
【Name】
4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569784
【English Synonyms】
【Formula】
C16 H12 Cl N3 O6 S
【MolWeight】
409.805
【Inchi】
InChI=1S/C16H12ClN3O6S/c1-26-13-5-3-8(7-12(13)20(24)25)14(21)19-16(27)18-11-6-9(15(22)23)2-4-10(11)17/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)
【InChIKey】
InChIKey=MEYKUBMIUVUWOH-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[3-(4-METHOXY-3-NITRO-BENZOYL)-THIOUREIDO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U82881 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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