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Home > Nitro Compounds > 20864-33-9
20864-33-9 | 4-methyl-3-nitrocinnoline
CAS No: 20864-33-9 Catalog No: AG019SGJ MDL No:MFCD02666032
Product Description
Catalog Number:
AG019SGJ
Chemical Name:
4-methyl-3-nitrocinnoline
CAS Number:
20864-33-9
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD02666032
IUPAC Name:
4-methyl-3-nitrocinnoline
InChI:
InChI=1S/C9H7N3O2/c1-6-7-4-2-3-5-8(7)10-11-9(6)12(13)14/h2-5H,1H3
InChI Key:
OWQASWALVUVONK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nnc2c(c1C)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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