67792-80-7
BENZOIC ACID, 2-(1H-IMIDAZOL-2-YL)-, PHENYL ESTER
NameBENZOIC ACID, 2-(1H-IMIDAZOL-2-YL)-, PHENYL ESTER
1Identification
【Name】
BENZOIC ACID, 2-(1H-IMIDAZOL-2-YL)-, PHENYL ESTER
【CAS】
【MDL】
MFCD13183251
【English Synonyms】
【Formula】
C16 H12 N2 O2
【MolWeight】
264.283
【Inchi】
InChI=1S/C16H12N2O2/c19-16(20-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15-17-10-11-18-15/h1-11H,(H,17,18)
【InChIKey】
InChIKey=MFJBPMRYHZTNFI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OC(=O)c2ccccc2c3[nH]ccn3
【MOL File】
BENZOIC ACID, 2-(1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 2-(1H-IMIDAZOL-2-YL)-, PHENYL ESTER.cml