Cas no 17178-95-9 ( )
structure
Product Name:
CAS No:17178-95-9
MF:C10H11N3O4
MW:237.212042093277
CID:905558
PubChem ID:304565
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Bis(acetylamino)-5-nitrobenzene
- N-(3-acetamido-5-nitrophenyl)acetamide
- 3,5-bis-acetamidonitrobenzene
- AC1L759E
- N-(3-acetylamino-5-nitrophenyl)acetamide
- N-(3-acetylamino-5-nitro-phenyl)-acetamide
- N,N'-(5-Nitro-m-phenylen)-bis-acetamid
- N,N'-(5-nitro-m-phenylene)-bis-acetamide
- NSC196992
- SureCN7833515
- DTXSID60307941
- FRCLOWVCWDXYJK-UHFFFAOYSA-N
- NSC-196992
- SCHEMBL7833515
- 17178-95-9
- N,N'-(5-Nitro-1,3-phenylene)diacetamide
-
-
- Inchi： 1S/C10H11N3O4/c1-6(14)11-8-3-9(12-7(2)15)5-10(4-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)
- InChI Key： FRCLOWVCWDXYJK-UHFFFAOYSA-N
- SMILES： O=C(C)NC1C=C(C=C(C=1)NC(C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 237.07503
- Monoisotopic Mass: 237.07495584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 302
- 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: 0.1
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 101.34
- LogP: 2.18080
Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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