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2357-79-1 | 1-(3-Fluoro-4-methoxyphenyl)propan-2-one
CAS No: 2357-79-1 Catalog No: AG01EUKY MDL No:
Product Description
Catalog Number:
AG01EUKY
Chemical Name:
1-(3-Fluoro-4-methoxyphenyl)propan-2-one
CAS Number:
2357-79-1
Molecular Formula:
C10H11FO2
Molecular Weight:
182.1915
IUPAC Name:
1-(3-fluoro-4-methoxyphenyl)propan-2-one
InChI:
InChI=1S/C10H11FO2/c1-7(12)5-8-3-4-10(13-2)9(11)6-8/h3-4,6H,5H2,1-2H3
InChI Key:
YSMYYXIMWVCARJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)CC(=O)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.194g/mol
Monoisotopic Mass:
182.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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