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Home > Fluorides > 135901-90-5
135901-90-5 | 2'-iso-Butoxy-5'-fluoroacetophenone
CAS No: 135901-90-5 Catalog No: AG01FDW0 MDL No:
Product Description
Catalog Number:
AG01FDW0
Chemical Name:
2'-iso-Butoxy-5'-fluoroacetophenone
CAS Number:
135901-90-5
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
1-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H15FO2/c1-8(2)7-15-12-5-4-10(13)6-11(12)9(3)14/h4-6,8H,7H2,1-3H3
InChI Key:
AOCTYAHCXZPGAV-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1C(=O)C)F)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.248g/mol
Monoisotopic Mass:
210.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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