535945-34-7
5-[3-(5-BROMO-NAPHTHALENE-1-CARBONYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID
Name
5-[3-(5-BROMO-NAPHTHALENE-1-CARBONYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID
Formula
C19 H12 Br Cl N2 O3 S
MolWeight
463.738
1Identification
【Name】
5-[3-(5-BROMO-NAPHTHALENE-1-CARBONYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03571781
【English Synonyms】
【Formula】
C19 H12 Br Cl N2 O3 S
【MolWeight】
463.738
【Inchi】
InChI=1S/C19H12BrClN2O3S/c20-15-6-2-3-11-12(15)4-1-5-13(11)17(24)23-19(27)22-10-7-8-16(21)14(9-10)18(25)26/h1-9H,(H,25,26)(H2,22,23,24,27)
【InChIKey】
InChIKey=ANYYKQKQBSELPQ-UHFFFAOYSA-N
【SMILES】
c1cc2c(cccc2Br)c(c1)C(=O)NC(=S)Nc3ccc(c(c3)C(=O)O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[3-(5-BROMO-NAPHTHALENE-1-CARBONYL)-THIOUREIDO]-2-CHLORO-BENZOIC ACID.cml
Quick Release
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Catalog No:U75319 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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