532944-98-2
5-BROMO-2-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C19 H19 Br N2 O4 S
MolWeight
451.339
1Identification
【Name】
5-BROMO-2-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03571181
【English Synonyms】
【Formula】
C19 H19 Br N2 O4 S
【MolWeight】
451.339
【Inchi】
InChI=1S/C19H19BrN2O4S/c1-3-11(2)26-14-6-4-5-12(9-14)17(23)22-19(27)21-16-8-7-13(20)10-15(16)18(24)25/h4-11H,3H2,1-2H3,(H,24,25)(H2,21,22,23,27)
【InChIKey】
InChIKey=NJNZMLLPQAQBFI-UHFFFAOYSA-N
【SMILES】
CCC(C)Oc1cccc(c1)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【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
5-BROMO-2-[[[[3-(1-METHYLPROPOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U83732 nullnull
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Catalog No:U83732 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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