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1352210-45-7 | 2,5'-Dimethyl-3'-fluoropropiophenone
CAS No: 1352210-45-7 Catalog No: AG01FDIL MDL No:
Product Description
Catalog Number:
AG01FDIL
Chemical Name:
2,5'-Dimethyl-3'-fluoropropiophenone
CAS Number:
1352210-45-7
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C11H13FO/c1-7(2)11(13)9-4-8(3)5-10(12)6-9/h4-7H,1-3H3
InChI Key:
VOJRVJZTKMSXRY-UHFFFAOYSA-N
SMILES:
Cc1cc(F)cc(c1)C(=O)C(C)C
Properties
Complexity:
189
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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