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455-91-4 | 1-(3-Fluoro-4-methoxyphenyl)ethanone
CAS No: 455-91-4 Catalog No: AG003JG0 MDL No:MFCD00026219
Product Description
Catalog Number:
AG003JG0
Chemical Name:
1-(3-Fluoro-4-methoxyphenyl)ethanone
CAS Number:
455-91-4
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD00026219
IUPAC Name:
1-(3-fluoro-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key:
LQASUDVYVOFKNK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)C
EC Number:
207-253-8
NSC Number:
89731
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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