84660-25-3
2-(4-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID
Name2-(4-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
2-(4-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09744141
【English Synonyms】
【Formula】
C11 H7 Cl N2 O3
【MolWeight】
250.64
【Inchi】
InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)10-13-8(11(16)17)5-9(15)14-10/h1-5H,(H,16,17)(H,13,14,15)
【InChIKey】
InChIKey=CKGHKABQBNRCMM-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2[nH]c(=O)cc(n2)C(=O)O)Cl
【MOL File】
2-(4-CHLOROPHENYL)-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID.cml