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42831-91-4 | 1-(3-Fluoro-6-methoxyphenyl)-2-methyl-2-propanol
CAS No: 42831-91-4 Catalog No: AG01EVXF MDL No:
Product Description
Catalog Number:
AG01EVXF
Chemical Name:
1-(3-Fluoro-6-methoxyphenyl)-2-methyl-2-propanol
CAS Number:
42831-91-4
Molecular Formula:
C11H15FO2
Molecular Weight:
198.2340
IUPAC Name:
1-(5-fluoro-2-methoxyphenyl)-2-methylpropan-2-ol
InChI:
InChI=1S/C11H15FO2/c1-11(2,13)7-8-6-9(12)4-5-10(8)14-3/h4-6,13H,7H2,1-3H3
InChI Key:
SWPBLQMTDWMNRX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC(O)(C)C)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.237g/mol
Monoisotopic Mass:
198.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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