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88416-67-5 | 2-Pyridineethanamine, N-(4-fluorophenyl)-
CAS No: 88416-67-5 Catalog No: AG004HXN MDL No:
Product Description
Catalog Number:
AG004HXN
Chemical Name:
2-Pyridineethanamine, N-(4-fluorophenyl)-
CAS Number:
88416-67-5
Molecular Formula:
C13H13FN2
Molecular Weight:
216.2541
IUPAC Name:
4-fluoro-N-(2-pyridin-2-ylethyl)aniline
InChI:
InChI=1S/C13H13FN2/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-7,9,16H,8,10H2
InChI Key:
QIBFSNNMOMBHBP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NCCc1ccccn1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.259g/mol
Monoisotopic Mass:
216.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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