Cas no 88229-25-8 (Benzamide, 2-nitro-N-2-propenyl-)
88229-25-8 structure
Product Name:Benzamide, 2-nitro-N-2-propenyl-
CAS No:88229-25-8
MF:C10H10N2O3
MW:206.198002338409
CID:640499
PubChem ID:3627601
Update Time:2025-04-19
Benzamide, 2-nitro-N-2-propenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 2-nitro-N-2-propenyl-
- 2-nitro-N-prop-2-enylbenzamide
- SCHEMBL7084989
- AKOS002944946
- DTXSID70394443
- Oprea1_838986
- 88229-25-8
-
- Inchi： 1S/C10H10N2O3/c1-2-7-11-10(13)8-5-3-4-6-9(8)12(14)15/h2-6H,1,7H2,(H,11,13)
- InChI Key： VXQOIWKQOUDDHZ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1[N+](=O)[O-])NCC=C
Computed Properties
- Exact Mass: 206.06914219g/mol
- Monoisotopic Mass: 206.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 260
- 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: 0.8
- Topological Polar Surface Area: 74.9?2
Benzamide, 2-nitro-N-2-propenyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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