75821-70-4
1-(4-BROMOPHENYL)-3-PHENYLPYRAZOLE-4-PROPIONIC ACID
Name
1-(4-BROMOPHENYL)-3-PHENYLPYRAZOLE-4-PROPIONIC ACID
Formula
C18 H15 Br N2 O2
MolWeight
371.233
1Identification
【Name】
1-(4-BROMOPHENYL)-3-PHENYLPYRAZOLE-4-PROPIONIC ACID
【CAS】
【MDL】
MFCD07784414
【English Synonyms】
【Formula】
C18 H15 Br N2 O2
【MolWeight】
371.233
【Inchi】
InChI=1S/C18H15BrN2O2/c19-15-7-9-16(10-8-15)21-12-14(6-11-17(22)23)18(20-21)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)
【InChIKey】
InChIKey=LAQITLKSECQDHZ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)Br)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Hazard statements】
【WGK Germany】
3
4CML File
1-(4-BROMOPHENYL)-3-PHENYLPYRAZOLE-4-PROPIONIC ACID.cml
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