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1256836-05-1 | 2-Pyridineethanamine, β,β-difluoro-5-methoxy-
CAS No: 1256836-05-1 Catalog No: AG000OHD MDL No:MFCD18254598
Product Description
Catalog Number:
AG000OHD
Chemical Name:
2-Pyridineethanamine, β,β-difluoro-5-methoxy-
CAS Number:
1256836-05-1
Molecular Formula:
C8H10F2N2O
Molecular Weight:
188.1746
MDL Number:
MFCD18254598
IUPAC Name:
2,2-difluoro-2-(5-methoxypyridin-2-yl)ethanamine
InChI:
InChI=1S/C8H10F2N2O/c1-13-6-2-3-7(12-4-6)8(9,10)5-11/h2-4H,5,11H2,1H3
InChI Key:
KWKHZBOQWKIODP-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cn1)OC)(F)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.178g/mol
Monoisotopic Mass:
188.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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