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Home > Fluorides > 1505516-30-2
1505516-30-2 | Ethanone, 1-(2,5-difluoro-3-pyridinyl)-
CAS No: 1505516-30-2 Catalog No: AG001MQ1 MDL No:
Product Description
Catalog Number:
AG001MQ1
Chemical Name:
Ethanone, 1-(2,5-difluoro-3-pyridinyl)-
CAS Number:
1505516-30-2
Molecular Formula:
C7H5F2NO
Molecular Weight:
157.1175
IUPAC Name:
1-(2,5-difluoropyridin-3-yl)ethanone
InChI:
InChI=1S/C7H5F2NO/c1-4(11)6-2-5(8)3-10-7(6)9/h2-3H,1H3
InChI Key:
NPYLCUURNHMXHV-UHFFFAOYSA-N
SMILES:
Fc1cnc(c(c1)C(=O)C)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.12g/mol
Monoisotopic Mass:
157.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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