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870889-75-1 | 1-Naphthalenecarbonitrile, 4-(3-fluoro-1-piperidinyl)-
CAS No: 870889-75-1 Catalog No: AG004UW9 MDL No:
Product Description
Catalog Number:
AG004UW9
Chemical Name:
1-Naphthalenecarbonitrile, 4-(3-fluoro-1-piperidinyl)-
CAS Number:
870889-75-1
Molecular Formula:
C16H15FN2
Molecular Weight:
254.3021
IUPAC Name:
4-(3-fluoropiperidin-1-yl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C16H15FN2/c17-13-4-3-9-19(11-13)16-8-7-12(10-18)14-5-1-2-6-15(14)16/h1-2,5-8,13H,3-4,9,11H2
InChI Key:
MNUGCDACVZBQSZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)N1CCCC(C1)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.308g/mol
Monoisotopic Mass:
254.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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