477859-46-4
4-(4-CHLOROPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
Name4-(4-CHLOROPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
1Identification
【Name】
4-(4-CHLOROPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD02082584
【English Synonyms】
【Formula】
C17 H11 Cl N2 O3
【MolWeight】
326.738
【Inchi】
InChI=1S/C17H11ClN2O3/c18-12-6-8-13(9-7-12)23-16-14(17(21)22)10-19-15(20-16)11-4-2-1-3-5-11/h1-10H,(H,21,22)
【InChIKey】
InChIKey=UBODBGNVTZRUBH-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2ncc(c(n2)Oc3ccc(cc3)Cl)C(=O)O
【MOL File】
4-(4-CHLOROPHENOXY)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-CHLOROPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID.cml