532420-71-6
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C17 H15 Br N2 O4 S
MolWeight
423.285
1Identification
【Name】
3-[[[[(4-BROMOPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03569932
【English Synonyms】
【Formula】
C17 H15 Br N2 O4 S
【MolWeight】
423.285
【Inchi】
InChI=1S/C17H15BrN2O4S/c1-10-13(16(22)23)3-2-4-14(10)19-17(25)20-15(21)9-24-12-7-5-11(18)6-8-12/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=DHJALCSHDRYLFA-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)COc2ccc(cc2)Br)C(=O)O
【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]-2-METHYL-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U82463 nullnull
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Catalog No:U82463 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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