532386-24-6
4-CHLORO-3-(3-PHENYLACETYL-THIOUREIDO)-BENZOIC ACID
Name
4-CHLORO-3-(3-PHENYLACETYL-THIOUREIDO)-BENZOIC ACID
Formula
C16 H13 Cl N2 O3 S
MolWeight
348.809
1Identification
【Name】
4-CHLORO-3-(3-PHENYLACETYL-THIOUREIDO)-BENZOIC ACID
【CAS】
【MDL】
MFCD03569298
【English Synonyms】
【Formula】
C16 H13 Cl N2 O3 S
【MolWeight】
348.809
【Inchi】
InChI=1S/C16H13ClN2O3S/c17-12-7-6-11(15(21)22)9-13(12)18-16(23)19-14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=CEEJCPBWVNSQAX-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CC(=O)NC(=S)Nc2cc(ccc2Cl)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-(3-PHENYLACETYL-THIOUREIDO)-BENZOIC ACID.cml
Quick Release
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