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114995-64-1 | Methanone, (2-amino-5-fluorophenyl)-4-pyridinyl-
CAS No: 114995-64-1 Catalog No: AG000FJ2 MDL No:
Product Description
Catalog Number:
AG000FJ2
Chemical Name:
Methanone, (2-amino-5-fluorophenyl)-4-pyridinyl-
CAS Number:
114995-64-1
Molecular Formula:
C12H9FN2O
Molecular Weight:
216.2111
IUPAC Name:
(2-amino-5-fluorophenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C12H9FN2O/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-7H,14H2
InChI Key:
BXQAHMJEWRCCMK-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)c1ccncc1)N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.215g/mol
Monoisotopic Mass:
216.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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