CAS 25652-34-0 6-Nitroquinoxalin-2-one (HCID 1042919)

Substructure search Find similar structures

Basic information

CAS: 25652-34-0
Standard SMILES: O=c1cnc2cc([N+](=O)[O-])ccc2[nH]1
InChIKey: OEAOPCQDVJKMQC-UHFFFAOYSA-N
Molecular formula: C8H5N3O3
Average molar mass: 191.14 g/mol
Monoisotopic mass: 191.03309102

Names & identifiers

Preferred name: 6-Nitroquinoxalin-2-one
IUPAC: 6-nitro-1H-quinoxalin-2-one
English name: 6-Nitroquinoxalin-2-one
Molecular formula: C8H5N3O3
Molecular weight: 191.14

Names & synonyms

25652-34-0DTXSID80359927RefChem:309207DTXCID003109796-Nitroquinoxalin-2-one6-nitroquinoxalin-2-ol6-nitro-1H-quinoxalin-2-one6-nitro-2-quinoxalinol6-Nitroquinoxalin-2(1H)-oneMFCD00837758SCHEMBL3720824OEAOPCQDVJKMQC-UHFFFAOYSA-N

Show more names

6-nitroquinoxalin-2(1)-one2-Hydroxy-6-nitroquinoxaline2(1H)-Quinoxalinone, 6-nitro-

HMS2594P11HMS3383I07SBB013813STK689359AKOS005602296AKOS016001556SMR000230505ST084864

Database identifiers

CAS: 25652-34-0
PubChem CID: 1042919
DTXSID: DTXSID80359927
ChEMBL: CHEMBL1353225

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 87.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 297

Physicochemical properties

Melting point: 294 °C · 294 °C (decomp)
Density: 1 · 1+-.0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7.67 · 7.67±0.70(Predicted)
Appearance: White to yellow Solid

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers38 total

上海康恩博医药科技有限公司17510465506 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

2 records

New reaction record

HRID 465331As reactantuspto-grants-1992_10

HRID 1614163As reactantuspto-grants-1993_03

Compound notes

Loading…