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Home > Nitro Compounds > 936342-27-7
936342-27-7 | 2-((4-(2-nitroethyl)benzyl)oxy)pyridine
CAS No: 936342-27-7 Catalog No: AG01DHBR MDL No:MFCD28142823
Product Description
Catalog Number:
AG01DHBR
Chemical Name:
2-((4-(2-nitroethyl)benzyl)oxy)pyridine
CAS Number:
936342-27-7
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD28142823
IUPAC Name:
2-[[4-(2-nitroethyl)phenyl]methoxy]pyridine
InChI:
InChI=1S/C14H14N2O3/c17-16(18)10-8-12-4-6-13(7-5-12)11-19-14-3-1-2-9-15-14/h1-7,9H,8,10-11H2
InChI Key:
UVFYQHLOGAVQSP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1ccc(cc1)COc1ccccn1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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