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Home > Fluorides > 1339407-98-5
1339407-98-5 | 2-(3-Fluoro-6-methylphenyl)-3-methyl-butan-2-ol
CAS No: 1339407-98-5 Catalog No: AG01F9T2 MDL No:
Product Description
Catalog Number:
AG01F9T2
Chemical Name:
2-(3-Fluoro-6-methylphenyl)-3-methyl-butan-2-ol
CAS Number:
1339407-98-5
Molecular Formula:
C12H17FO
Molecular Weight:
196.2612
IUPAC Name:
2-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
InChI:
InChI=1S/C12H17FO/c1-8(2)12(4,14)11-7-10(13)6-5-9(11)3/h5-8,14H,1-4H3
InChI Key:
HUGIBYCIVCMVKZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(C(C)C)(O)C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.265g/mol
Monoisotopic Mass:
196.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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