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1240257-07-1 | Benzenemethanol, 2-fluoro-4-(trifluoromethoxy)-
CAS No: 1240257-07-1 Catalog No: AG000LF1 MDL No:MFCD16652441
Product Description
Catalog Number:
AG000LF1
Chemical Name:
Benzenemethanol, 2-fluoro-4-(trifluoromethoxy)-
CAS Number:
1240257-07-1
Molecular Formula:
C8H6F4O2
Molecular Weight:
210.1257
MDL Number:
MFCD16652441
IUPAC Name:
[2-fluoro-4-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H6F4O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChI Key:
BBHRDCVRVNBYCO-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1F)OC(F)(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.128g/mol
Monoisotopic Mass:
210.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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