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Home > Nitro Compounds > 2060035-22-3
2060035-22-3 | 6-methyl-3-(3-nitrophenyl)-1,2-dihydropyrazin-2-one
CAS No: 2060035-22-3 Catalog No: AG01BQQF MDL No:MFCD30501802
Product Description
Catalog Number:
AG01BQQF
Chemical Name:
6-methyl-3-(3-nitrophenyl)-1,2-dihydropyrazin-2-one
CAS Number:
2060035-22-3
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD30501802
IUPAC Name:
6-methyl-3-(3-nitrophenyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C11H9N3O3/c1-7-6-12-10(11(15)13-7)8-3-2-4-9(5-8)14(16)17/h2-6H,1H3,(H,13,15)
InChI Key:
LQOFEPJYTUEOSJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ncc([nH]c1=O)C
Properties
Complexity:
409
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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