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150322-70-6 | 1-(2-Fluorophenyl)pentan-2-one
CAS No: 150322-70-6 Catalog No: AG01EU84 MDL No:
Product Description
Catalog Number:
AG01EU84
Chemical Name:
1-(2-Fluorophenyl)pentan-2-one
CAS Number:
150322-70-6
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(2-fluorophenyl)pentan-2-one
InChI:
InChI=1S/C11H13FO/c1-2-5-10(13)8-9-6-3-4-7-11(9)12/h3-4,6-7H,2,5,8H2,1H3
InChI Key:
GMMMQJLGYDGODB-UHFFFAOYSA-N
SMILES:
CCCC(=O)Cc1ccccc1F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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