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Home > Pyridines > 1221725-84-3
1221725-84-3 | 4-(pyridin-3-yloxy)benzonitrile hydrochloride
CAS No: 1221725-84-3 Catalog No: AG019Y51 MDL No:MFCD14705656
Product Description
Catalog Number:
AG019Y51
Chemical Name:
4-(pyridin-3-yloxy)benzonitrile hydrochloride
CAS Number:
1221725-84-3
Molecular Formula:
C12H9ClN2O
Molecular Weight:
232.6657
MDL Number:
MFCD14705656
IUPAC Name:
4-pyridin-3-yloxybenzonitrile;hydrochloride
InChI:
InChI=1S/C12H8N2O.ClH/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12;/h1-7,9H;1H
InChI Key:
NNMPIKVRSVMYFA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1cccnc1.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.667g/mol
Monoisotopic Mass:
232.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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