535939-98-1
2-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Name
2-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Formula
C19 H19 Cl N2 O4 S
MolWeight
406.888
1Identification
【Name】
2-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03571435
【English Synonyms】
【Formula】
C19 H19 Cl N2 O4 S
【MolWeight】
406.888
【Inchi】
InChI=1S/C19H19ClN2O4S/c1-2-3-10-26-14-7-4-12(5-8-14)17(23)22-19(27)21-16-9-6-13(20)11-15(16)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=IQIHJKVCGQWWTR-UHFFFAOYSA-N
【SMILES】
CCCCOc1ccc(cc1)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-[[[(4-BUTOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U76597 nullnull
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Catalog No:U76597 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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