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Home > Nitro Compounds > 210036-45-6
210036-45-6 | 6-methyl-2-(3-nitrophenyl)pyrimidin-1-ium-1-olate
CAS No: 210036-45-6 Catalog No: AG019MVL MDL No:MFCD11099550
Product Description
Catalog Number:
AG019MVL
Chemical Name:
6-methyl-2-(3-nitrophenyl)pyrimidin-1-ium-1-olate
CAS Number:
210036-45-6
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD11099550
IUPAC Name:
6-methyl-2-(3-nitrophenyl)-1-oxidopyrimidin-1-ium
InChI:
InChI=1S/C11H9N3O3/c1-8-5-6-12-11(13(8)15)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3
InChI Key:
OQSQIMJVHWOCMG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nccc([n+]1[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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