49546-83-0
2-CHLORO-2-(3,4-DIHYDROPHTHALAZIN-4-ON-1-YL)ACETIC ACID
Name2-CHLORO-2-(3,4-DIHYDROPHTHALAZIN-4-ON-1-YL)ACETIC ACID
1Identification
【Name】
2-CHLORO-2-(3,4-DIHYDROPHTHALAZIN-4-ON-1-YL)ACETIC ACID
【CAS】
【MDL】
MFCD00203876
【English Synonyms】
【Formula】
C10 H7 Cl N2 O3
【MolWeight】
238.629
【Inchi】
InChI=1S/C10H7ClN2O3/c11-7(10(15)16)8-5-3-1-2-4-6(5)9(14)13-12-8/h1-4,7H,(H,13,14)(H,15,16)
【InChIKey】
InChIKey=UFZSEPOAWMGPHM-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(n[nH]c2=O)C(C(=O)O)Cl
【MOL File】
2-CHLORO-2-(3,4-DIHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-2-(3,4-DIHYDROPHTHALAZIN-4-ON-1-YL)ACETIC ACID.cml