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Home > Nitro Compounds > 128787-74-6
128787-74-6 | Pyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-
CAS No: 128787-74-6 Catalog No: AG000YEP MDL No:
Product Description
Catalog Number:
AG000YEP
Chemical Name:
Pyridinium, 1-[[(3-nitrophenyl)methoxy]methyl]-
CAS Number:
128787-74-6
Molecular Formula:
C13H13N2O3+
Molecular Weight:
245.2539
IUPAC Name:
1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium
InChI:
InChI=1S/C13H13N2O3/c16-15(17)13-6-4-5-12(9-13)10-18-11-14-7-2-1-3-8-14/h1-9H,10-11H2/q+1
InChI Key:
HWPOESZMKIQLRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)COC[n+]1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.093g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.258g/mol
Monoisotopic Mass:
245.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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