532955-88-7
4-CHLORO-3-[[[(1-OXO-3-PHENYL-2-PROPENYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-CHLORO-3-[[[(1-OXO-3-PHENYL-2-PROPENYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C17 H13 Cl N2 O3 S
MolWeight
360.82
1Identification
【Name】
4-CHLORO-3-[[[(1-OXO-3-PHENYL-2-PROPENYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574437
【English Synonyms】
【Formula】
C17 H13 Cl N2 O3 S
【MolWeight】
360.82
【Inchi】
InChI=1S/C17H13ClN2O3S/c18-13-8-7-12(16(22)23)10-14(13)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)/b9-6+
【InChIKey】
InChIKey=XINQNLRMXUWRAP-RMKNXTFCSA-N
【SMILES】
c1ccc(cc1)/C=C/C(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[[[(1-OXO-3-PHENYL-2-PROPENYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U75332 nullnull
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