51766-99-5
5-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-CHLOROBENZOIC ACID
Name5-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-CHLOROBENZOIC ACID
1Identification
【Name】
5-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-CHLOROBENZOIC ACID
【CAS】
【MDL】
MFCD20229205
【English Synonyms】
【Formula】
C10 H8 Cl N3 O3
【MolWeight】
253.644
【Inchi】
InChI=1S/C10H8ClN3O3/c11-7-2-1-5(3-6(7)10(16)17)14-9(15)4-8(12)13-14/h1-3H,4H2,(H2,12,13)(H,16,17)
【InChIKey】
InChIKey=QXWQHTCXTLJNRS-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1N2C(=O)CC(=N2)N)C(=O)O)Cl
【MOL File】
5-(3-AMINO-5-OXO-4,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-2-CHLOROBENZOIC ACID.cml