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1157635-91-0 | 2-(3-Fluorophenyl)-2-pentanol
CAS No: 1157635-91-0 Catalog No: AG01FF4O MDL No:
Product Description
Catalog Number:
AG01FF4O
Chemical Name:
2-(3-Fluorophenyl)-2-pentanol
CAS Number:
1157635-91-0
Molecular Formula:
C11H15FO
Molecular Weight:
182.2346
IUPAC Name:
2-(3-fluorophenyl)pentan-2-ol
InChI:
InChI=1S/C11H15FO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h4-6,8,13H,3,7H2,1-2H3
InChI Key:
JOYMFYMMTZRQEM-UHFFFAOYSA-N
SMILES:
CCCC(c1cccc(c1)F)(O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.238g/mol
Monoisotopic Mass:
182.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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