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101664-57-7 | Pyridine, 2-chloro-3-methoxy-4-nitro-, 1-oxide
CAS No: 101664-57-7 Catalog No: AG000545 MDL No:
Product Description
Catalog Number:
AG000545
Chemical Name:
Pyridine, 2-chloro-3-methoxy-4-nitro-, 1-oxide
CAS Number:
101664-57-7
Molecular Formula:
C6H5ClN2O4
Molecular Weight:
204.5679
IUPAC Name:
2-chloro-3-methoxy-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H5ClN2O4/c1-13-5-4(9(11)12)2-3-8(10)6(5)7/h2-3H,1H3
InChI Key:
NXUDNXIIJONTJS-UHFFFAOYSA-N
SMILES:
COc1c(cc[n+](c1Cl)[O-])[N+](=O)[O-]
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.566g/mol
Monoisotopic Mass:
203.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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