100482-54-0
1-(M-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-2-BUTEN-1-OL
Name1-(M-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-2-BUTEN-1-OL
1Identification
【Name】
1-(M-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-2-BUTEN-1-OL
【CAS】
【MDL】
MFCD01656563
【English Synonyms】
【Formula】
C11 H7 F6 N O3
【MolWeight】
315.168
【Inchi】
InChI=1S/C11H7F6NO3/c12-10(13,14)9(11(15,16)17)5-8(19)6-2-1-3-7(4-6)18(20)21/h1-5,8,19H
【InChIKey】
InChIKey=IDDNADSOAFYBIV-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])C(C=C(C(F)(F)F)C(F)(F)F)O
【MOL File】
1-(M-NITROPHENYL)-4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(M-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-2-BUTEN-1-OL.cml