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1183881-59-5 | 3'-Fluoro-3-methylbutyrophenone
CAS No: 1183881-59-5 Catalog No: AG01FET2 MDL No:
Product Description
Catalog Number:
AG01FET2
Chemical Name:
3'-Fluoro-3-methylbutyrophenone
CAS Number:
1183881-59-5
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(3-fluorophenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C11H13FO/c1-8(2)6-11(13)9-4-3-5-10(12)7-9/h3-5,7-8H,6H2,1-2H3
InChI Key:
DRUBNGZGDPFQGJ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1cccc(c1)F)C
Properties
Complexity:
177
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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