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50823-90-0 | (3-(Trifluoromethoxy)phenyl)methanol
CAS No: 50823-90-0 Catalog No: AG003BAF MDL No:MFCD00061270
Product Description
Catalog Number:
AG003BAF
Chemical Name:
(3-(Trifluoromethoxy)phenyl)methanol
CAS Number:
50823-90-0
Molecular Formula:
C8H7F3O2
Molecular Weight:
192.1352
MDL Number:
MFCD00061270
IUPAC Name:
[3-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChI Key:
XRGSSROOYSFMMS-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.137g/mol
Monoisotopic Mass:
192.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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