15911-30-5
4-METHYL-2-(4-NITROPHENYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
Name4-METHYL-2-(4-NITROPHENYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
4-METHYL-2-(4-NITROPHENYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01936221
【English Synonyms】
【Formula】
C11 H8 N2 O4 S
【MolWeight】
264.26
【Inchi】
InChI=1S/C11H8N2O4S/c1-6-9(11(14)15)18-10(12-6)7-2-4-8(5-3-7)13(16)17/h2-5H,1H3,(H,14,15)
【InChIKey】
InChIKey=IAWXKDQKIJAATO-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)c2ccc(cc2)[N+](=O)[O-])C(=O)O
【MOL File】
4-METHYL-2-(4-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-(4-NITROPHENYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID.cml