Basic information
- CAS
90771-17-8- Standard SMILES
Cc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
QBBNQTCDZWMPAH-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 4-Methyl-6-nitroquinolin-2-ol
- IUPAC
- 4-methyl-6-nitro-1H-quinolin-2-one
- English name
- 4-Methyl-6-nitro-quinolin-2-ol
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
4-methyl-6-nitroquinolin-2-ol90771-17-8DTXSID80346059RefChem:294406DTXCID202971324-methyl-6-nitro-1H-quinolin-2-oneMFCD010143204-methyl-6-nitroquinolin-2(1H)-one2-Hydroxy-4-methyl-6-nitroquinoline4-Methyl-6-nitro-quinolin-2-olCBMicro_033436Cambridge id 5796050
Show more names
AKOS NCG-00722(1H)-Quinolinone, 4-methyl-6-nitro-
Oprea1_082474Oprea1_3188684-METHYL-6-NITRO-1,2-DIHYDROQUINOLIN-2-ONESCHEMBL5909911CHEMBL1886151SCHEMBL30349881ALBB-0054384-methyl-6-nitrohydroquinolin-2-one
Database identifiers
- CAS
90771-17-8- PubChem CID
- 609262
- DTXSID
DTXSID80346059- ChEMBL
CHEMBL1886151- Nikkaji
- J1.402.537E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 340 °C · 340 °C (decomp)
- Boiling point
- 434.4 · 434.4±45.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.70(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京五蕴永昌科技有限公司15210642910 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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