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76529-20-9 | 2-(3-Fluorophenyl)-2-butanol
CAS No: 76529-20-9 Catalog No: AG01EXC2 MDL No:
Product Description
Catalog Number:
AG01EXC2
Chemical Name:
2-(3-Fluorophenyl)-2-butanol
CAS Number:
76529-20-9
Molecular Formula:
C10H13FO
Molecular Weight:
168.2080
IUPAC Name:
2-(3-fluorophenyl)butan-2-ol
InChI:
InChI=1S/C10H13FO/c1-3-10(2,12)8-5-4-6-9(11)7-8/h4-7,12H,3H2,1-2H3
InChI Key:
OATBDRSSZJNKDQ-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)F)(O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.211g/mol
Monoisotopic Mass:
168.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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