Name: Name:6-methyl-2-(3-nitrophenyl)pyrimidin-1-ium-1-olate
Brand: Angene
SKU: AG019MVL
Rating: 90 (10 reviews)

6-methyl-2-(3-nitrophenyl)pyrimidin-1-ium-1-olate

CAS No.:

210036-45-6

Catalog Number:

AG019MVL

Molecular Formula:

C11H9N3O3

Molecular Weight:

231.2075

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

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.211g/mol

Monoisotopic Mass:

231.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1