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Home > Nitro Compounds > 76856-83-2
76856-83-2 | Pyridinium, 1-methoxy-3-nitro-, perchlorate
CAS No: 76856-83-2 Catalog No: AG005S3W MDL No:
Product Description
Catalog Number:
AG005S3W
Chemical Name:
Pyridinium, 1-methoxy-3-nitro-, perchlorate
CAS Number:
76856-83-2
Molecular Formula:
C6H7ClN2O7
Molecular Weight:
254.5820
IUPAC Name:
1-methoxy-3-nitropyridin-1-ium;perchlorate
InChI:
InChI=1S/C6H7N2O3.ClHO4/c1-11-7-4-2-3-6(5-7)8(9)10;2-1(3,4)5/h2-5H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
JKTDOZBBHQJHQO-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CO[n+]1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.579g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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