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Home > Nitro Compounds > 672945-87-8
672945-87-8 | 4-[(6-nitropyridin-3-yl)oxy]benzonitrile
CAS No: 672945-87-8 Catalog No: AG01ABM1 MDL No:MFCD26407644
Product Description
Catalog Number:
AG01ABM1
Chemical Name:
4-[(6-nitropyridin-3-yl)oxy]benzonitrile
CAS Number:
672945-87-8
Molecular Formula:
C12H7N3O3
Molecular Weight:
241.2023
MDL Number:
MFCD26407644
IUPAC Name:
4-(6-nitropyridin-3-yl)oxybenzonitrile
InChI:
InChI=1S/C12H7N3O3/c13-7-9-1-3-10(4-2-9)18-11-5-6-12(14-8-11)15(16)17/h1-6,8H
InChI Key:
XJWARRWRELZZBV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Oc1ccc(nc1)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.206g/mol
Monoisotopic Mass:
241.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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