Cas no 139605-33-7 (2H-1,4-Benzoxazin-3(4H)-one, 8-nitro-)
139605-33-7 structure
Product Name:2H-1,4-Benzoxazin-3(4H)-one, 8-nitro-
CAS No:139605-33-7
MF:C8H6N2O4
MW:194.144241809845
MDL:MFCD11878409
CID:96640
PubChem ID:38997184
Update Time:2025-04-18
2H-1,4-Benzoxazin-3(4H)-one, 8-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,4-Benzoxazin-3(4H)-one, 8-nitro-
- 8-nitro-4H-1,4-benzoxazin-3-one
- 139605-33-7
- SY273980
- CS-0445962
- AT35501
- 8-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
- 8-NITRO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
- SCHEMBL3598751
- ADAJNAAIVIRINH-UHFFFAOYSA-N
- 2H-1,4-BENZOXAZIN-3(4H)-ONE, 8-NITRO
- 8-nitro-2H-1,4-benzoxazin-3(4H)-one
- MFCD11878409
- DTXSID60653415
- AKOS016373437
- 8-nitro-2 H-1,4-benzoxazin-3(4 H)-one
- MB11340
-
- MDL: MFCD11878409
- Inchi: 1S/C8H6N2O4/c11-7-4-14-8-5(9-7)2-1-3-6(8)10(12)13/h1-3H,4H2,(H,9,11)
- InChI Key: ADAJNAAIVIRINH-UHFFFAOYSA-N
- SMILES: O1CC(NC2C=CC=C(C1=2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 194.03278
- Monoisotopic Mass: 194.03275668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 84.2?2
Experimental Properties
- PSA: 81.47
2H-1,4-Benzoxazin-3(4H)-one, 8-nitro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1196087-1g |
8-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
139605-33-7 | 95% | 1g |
$1085 | 2024-07-19 | |
| eNovation Chemicals LLC | Y1196087-1g |
8-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-one |
139605-33-7 | 95% | 1g |
$1085 | 2025-02-21 |
2H-1,4-Benzoxazin-3(4H)-one, 8-nitro- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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