569370-38-3
3-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)BENZONITRILE
Name3-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)BENZONITRILE
1Identification
【Name】
3-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)BENZONITRILE
【CAS】
【MDL】
MFCD11040226
【English Synonyms】
【Formula】
C9 H6 F3 N O
【MolWeight】
201.146
【Inchi】
InChI=1S/C9H6F3NO/c10-9(11,12)8-2-6(4-13)1-7(3-8)5-14/h1-3,14H,5H2
【InChIKey】
InChIKey=RVOANQAGOMVMLN-UHFFFAOYSA-N
【SMILES】
c1c(cc(cc1C#N)C(F)(F)F)CO
【MOL File】
3-(HYDROXYMETHYL)-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)BENZONITRILE.cml