532978-58-8
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
Name
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
Formula
C18 H14 Br Cl N2 O4 S
MolWeight
469.742
1Identification
【Name】
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03570537
【English Synonyms】
BENZOIC ACID, 3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-
【Formula】
C18 H14 Br Cl N2 O4 S
【MolWeight】
469.742
【Inchi】
InChI=1S/C18H14BrClN2O4S/c1-26-15-6-4-12(19)8-10(15)3-7-16(23)22-18(27)21-14-9-11(17(24)25)2-5-13(14)20/h2-9H,1H3,(H,24,25)(H2,21,22,23,27)/b7-3+
【InChIKey】
InChIKey=XDUZLIDKBIITTB-XVNBXDOJSA-N
【SMILES】
COc1ccc(cc1/C=C/C(=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
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-CHLORO-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U81257 nullnull
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Catalog No:U81257 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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