Name: Name:4-(3-nitrophenyl)-1,2,4-triazolidine-3,5-dione
Brand: Angene
SKU: AG01BCSS
Rating: 90 (10 reviews)

4-(3-nitrophenyl)-1,2,4-triazolidine-3,5-dione

CAS No.:

928323-86-8

Catalog Number:

AG01BCSS

Molecular Formula:

C8H6N4O4

Molecular Weight:

222.1576

Catalog Number:

AG01BCSS

Chemical Name:

4-(3-nitrophenyl)-1,2,4-triazolidine-3,5-dione

CAS Number:

928323-86-8

Molecular Formula:

C8H6N4O4

Molecular Weight:

222.1576

MDL Number:

MFCD12965843

IUPAC Name:

4-(3-nitrophenyl)-1,2,4-triazolidine-3,5-dione

InChI:

InChI=1S/C8H6N4O4/c13-7-9-10-8(14)11(7)5-2-1-3-6(4-5)12(15)16/h1-4H,(H,9,13)(H,10,14)

InChI Key:

IAWBFWGMAXQZGG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)n1c(=O)[nH][nH]c1=O

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.16g/mol

Monoisotopic Mass:

222.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5