535949-06-5
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
Name
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
Formula
C16 H12 Br Cl N2 O4 S
MolWeight
443.704
1Identification
【Name】
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03572115
【English Synonyms】
【Formula】
C16 H12 Br Cl N2 O4 S
【MolWeight】
443.704
【Inchi】
InChI=1S/C16H12BrClN2O4S/c17-10-2-4-11(5-3-10)24-8-14(21)20-16(25)19-13-7-9(15(22)23)1-6-12(13)18/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=PWFSQNVRAFUPCS-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1OCC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U84781 nullnull
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Catalog No:U84781 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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