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1256477-63-0 | 3',4'-Difluoro-5'-methoxyacetophenone
CAS No: 1256477-63-0 Catalog No: AG01FCZJ MDL No:
Product Description
Catalog Number:
AG01FCZJ
Chemical Name:
3',4'-Difluoro-5'-methoxyacetophenone
CAS Number:
1256477-63-0
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
IUPAC Name:
1-(3,4-difluoro-5-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H8F2O2/c1-5(12)6-3-7(10)9(11)8(4-6)13-2/h3-4H,1-2H3
InChI Key:
AJHJJXGXPYLYDS-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1F)F)C(=O)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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