905403-96-5
2-(3-METHOXYPHENYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
Name2-(3-METHOXYPHENYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
2-(3-METHOXYPHENYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10007785
【English Synonyms】
【Formula】
C15 H12 N2 O3
【MolWeight】
268.271
【Inchi】
InChI=1S/C15H12N2O3/c1-20-11-4-2-3-9(7-11)14-16-12-6-5-10(15(18)19)8-13(12)17-14/h2-8H,1H3,(H,16,17)(H,18,19)
【InChIKey】
InChIKey=QKVGVBCDMWTFEW-UHFFFAOYSA-N
【SMILES】
COc1cccc(c1)c2[nH]c3ccc(cc3n2)C(=O)O
【MOL File】
2-(3-METHOXYPHENYL)-….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-(3-METHOXYPHENYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID.cml