Name: Name:5(2H)-Isoxazolone, 4-nitro-, compd. with pyridine (1:1)
Brand: Angene
SKU: AG001D8X
Rating: 90 (10 reviews)

5(2H)-Isoxazolone, 4-nitro-, compd. with pyridine (1:1)

CAS No.:

145640-15-9

Catalog Number:

AG001D8X

Molecular Formula:

C8H7N3O4

Molecular Weight:

209.1589

Catalog Number:

AG001D8X

Chemical Name:

5(2H)-Isoxazolone, 4-nitro-, compd. with pyridine (1:1)

CAS Number:

145640-15-9

Molecular Formula:

C8H7N3O4

Molecular Weight:

209.1589

MDL Number:

MFCD30475659

IUPAC Name:

4-nitro-2H-1,2-oxazol-5-one;pyridine

InChI:

InChI=1S/C5H5N.C3H2N2O4/c1-2-4-6-5-3-1;6-3-2(5(7)8)1-4-9-3/h1-5H;1,4H

InChI Key:

CBUGMUJYFOVCQX-UHFFFAOYSA-N

SMILES:

c1cccnc1.[O-][N+](=O)c1c[nH]oc1=O

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.161g/mol

Monoisotopic Mass:

209.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: