Cas no 600731-30-4 (Benzene, 1-nitro-2-[(phenylmethoxy)methyl]-)
![Benzene, 1-nitro-2-[(phenylmethoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/601000/600731-30-4x500.png)
600731-30-4 structure
Product Name:Benzene, 1-nitro-2-[(phenylmethoxy)methyl]-
CAS No:600731-30-4
MF:C14H13NO3
MW:243.257923841476
CID:499292
PubChem ID:57024545
Update Time:2025-04-19
Benzene, 1-nitro-2-[(phenylmethoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-nitro-2-[(phenylmethoxy)methyl]-
- 1-nitro-2-(phenylmethoxymethyl)benzene
-
- Inchi： 1S/C14H13NO3/c16-15(17)14-9-5-4-8-13(14)11-18-10-12-6-2-1-3-7-12/h1-9H,10-11H2
- InChI Key： SNKQHCBOTVHMMP-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)CC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 243.08959
- Monoisotopic Mass: 243.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 258
- 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: 3.3
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-nitro-2-[(phenylmethoxy)methyl]- 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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
600731-30-4 (Benzene, 1-nitro-2-[(phenylmethoxy)methyl]-) Related Products
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