956387-03-4
3-(3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name3-(3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
3-(3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06357863
【English Synonyms】
【Formula】
C17 H14 N2 O2
【MolWeight】
278.31
【Inchi】
InChI=1S/C17H14N2O2/c1-12-6-5-7-13(10-12)16-15(17(20)21)11-19(18-16)14-8-3-2-4-9-14/h2-11H,1H3,(H,20,21)
【InChIKey】
InChIKey=UNHBQSXNGUQFQF-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)c2c(cn(n2)c3ccccc3)C(=O)O
【MOL File】
3-(3-METHYLPHENYL)-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml