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42916-68-7 | 1-(3-Fluorophenyl)pentan-1-one
CAS No: 42916-68-7 Catalog No: AG01EVXJ MDL No:
Product Description
Catalog Number:
AG01EVXJ
Chemical Name:
1-(3-Fluorophenyl)pentan-1-one
CAS Number:
42916-68-7
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(3-fluorophenyl)pentan-1-one
InChI:
InChI=1S/C11H13FO/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3
InChI Key:
XGQSIMBACLPHJC-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cccc(c1)F
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:
3.1
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