531515-38-5
2-[[[(3-BROMO-4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Name
2-[[[(3-BROMO-4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Formula
C17 H14 Br Cl N2 O4 S
MolWeight
457.731
1Identification
【Name】
2-[[[(3-BROMO-4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565477
【English Synonyms】
【Formula】
C17 H14 Br Cl N2 O4 S
【MolWeight】
457.731
【Inchi】
InChI=1S/C17H14BrClN2O4S/c1-2-25-14-6-3-9(7-12(14)18)15(22)21-17(26)20-13-5-4-10(19)8-11(13)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=ILKRDFAPEZNBQM-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1Br)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Cl
【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
2-[[[(3-BROMO-4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
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Catalog No:U86349 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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