535964-55-7
4-CHLORO-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-CHLORO-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H19 Cl N2 O4 S
MolWeight
406.888
1Identification
【Name】
4-CHLORO-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03572727
【English Synonyms】
【Formula】
C19 H19 Cl N2 O4 S
【MolWeight】
406.888
【Inchi】
InChI=1S/C19H19ClN2O4S/c1-11(2)12-3-6-14(7-4-12)26-10-17(23)22-19(27)21-16-9-13(18(24)25)5-8-15(16)20/h3-9,11H,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=FHWUDVUXNXULTP-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1)OCC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[[[[[4-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U90739 nullnull
Country/Region:United States
Business Type:Trading Company
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