209732-38-7
4-(3-CYANOPHENYL)-2-METHYL-5-THIAZOLECARBOXYLIC ACID
Name4-(3-CYANOPHENYL)-2-METHYL-5-THIAZOLECARBOXYLIC ACID
1Identification
【Name】
4-(3-CYANOPHENYL)-2-METHYL-5-THIAZOLECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11221437
【English Synonyms】
【Formula】
C12 H8 N2 O2 S
【MolWeight】
244.273
【Inchi】
InChI=1S/C12H8N2O2S/c1-7-14-10(11(17-7)12(15)16)9-4-2-3-8(5-9)6-13/h2-5H,1H3,(H,15,16)
【InChIKey】
InChIKey=PAEYWKQZNWUTSV-UHFFFAOYSA-N
【SMILES】
Cc1nc(c(s1)C(=O)O)c2cccc(c2)C#N
【MOL File】
4-(3-CYANOPHENYL)-2-….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
4-(3-CYANOPHENYL)-2-METHYL-5-THIAZOLECARBOXYLIC ACID.cml