530156-67-3
3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
Name
3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
Formula
C16 H12 Br Cl N2 O4 S
MolWeight
443.704
1Identification
【Name】
3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565453
【English Synonyms】
【Formula】
C16 H12 Br Cl N2 O4 S
【MolWeight】
443.704
【Inchi】
InChI=1S/C16H12BrClN2O4S/c1-24-13-5-3-8(6-10(13)17)14(21)20-16(25)19-12-7-9(15(22)23)2-4-11(12)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)
【InChIKey】
InChIKey=AGYRMXSEKLXXOG-UHFFFAOYSA-N
【SMILES】
COc1ccc(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
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[3-(3-BROMO-4-METHOXY-BENZOYL)-THIOUREIDO]-4-CHLORO-BENZOIC ACID.cml
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Catalog No:U89545 nullnull
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