532414-73-6
3-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
Name
3-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
Formula
C17 H14 Br Cl N2 O4 S
MolWeight
457.731
1Identification
【Name】
3-[3-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03569663
【English Synonyms】
【Formula】
C17 H14 Br Cl N2 O4 S
【MolWeight】
457.731
【Inchi】
InChI=1S/C17H14BrClN2O4S/c1-2-25-14-6-4-9(7-11(14)18)15(22)21-17(26)20-13-8-10(16(23)24)3-5-12(13)19/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)
【InChIKey】
InChIKey=UMRPGJWLYUZKCQ-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1Br)C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【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-(3-BROMO-4-ETHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID.cml
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