Home Nitriles 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile hydrochloride

2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile hydrochloride

CAS No.:
2088515-84-6
Catalog Number:
AG01DJ1Z
Molecular Formula:
C13H15ClF2N2O
Molecular Weight:
288.7208
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Product Description
Catalog Number:
AG01DJ1Z
Chemical Name:
2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile hydrochloride
CAS Number:
2088515-84-6
Molecular Formula:
C13H15ClF2N2O
Molecular Weight:
288.7208
MDL Number:
MFCD31652647
IUPAC Name:
2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile;hydrochloride
InChI:
InChI=1S/C13H14F2N2O.ClH/c14-12-5-10(6-13(15)11(12)7-16)18-8-9-1-3-17-4-2-9;/h5-6,9,17H,1-4,8H2;1H
InChI Key:
MUVVZKWWPQMYTC-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1F)OCC1CCNCC1.Cl
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.084g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
288.723g/mol
Monoisotopic Mass:
288.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties