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Home > Fluorides > 1247601-25-7
1247601-25-7 | 3-Fluoro-4-methylphenyl-(5-methyl-2-thienyl)methanol
CAS No: 1247601-25-7 Catalog No: AG01F8FR MDL No:
Product Description
Catalog Number:
AG01F8FR
Chemical Name:
3-Fluoro-4-methylphenyl-(5-methyl-2-thienyl)methanol
CAS Number:
1247601-25-7
Molecular Formula:
C13H13FOS
Molecular Weight:
236.3051
IUPAC Name:
(3-fluoro-4,5-dimethylthiophen-2-yl)-phenylmethanol
InChI:
InChI=1S/C13H13FOS/c1-8-9(2)16-13(11(8)14)12(15)10-6-4-3-5-7-10/h3-7,12,15H,1-2H3
InChI Key:
QPQJQDOGAWZZLQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)C(c1ccc(c(c1)F)C)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.304g/mol
Monoisotopic Mass:
236.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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