Cas no 56245-02-4 (Benzene, 1-(2-methylpropoxy)-2-nitro-)
56245-02-4 structure
Product Name:Benzene, 1-(2-methylpropoxy)-2-nitro-
CAS No:56245-02-4
MF:C10H13NO3
MW:195.215122938156
CID:349415
PubChem ID:12215203
Update Time:2025-04-19
Benzene, 1-(2-methylpropoxy)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(2-methylpropoxy)-2-nitro-
- 1-(2-methylpropoxy)-2-nitrobenzene
- DTXSID70480815
- 2-(2-Methylpropoxy)-1-nitrobenzene
- 56245-02-4
- 2-Nitrophenol, 2-methylpropyl ether
- o-nitro-isobutoxybenzene
- SCHEMBL1341846
-
- Inchi： 1S/C10H13NO3/c1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h3-6,8H,7H2,1-2H3
- InChI Key： VOCGCNMEKJPLQQ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1[N+](=O)[O-])CC(C)C
Computed Properties
- Exact Mass: 195.08959
- Monoisotopic Mass: 195.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 188
- 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: 3.1
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-(2-methylpropoxy)-2-nitro- Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
56245-02-4 (Benzene, 1-(2-methylpropoxy)-2-nitro-) Related Products
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- 119-23-3(2,5-Diethoxynitrobenzene)
- 135-15-9(1,4-Dibutoxy-2-nitrobenzene)
- 105168-92-1(4-Nitro-2-propoxyaniline)
- 122329-02-6(1-Nitro-2-(tetradecyloxy)benzene)
- 38753-50-3(1-Isopropoxy-2-nitrobenzene)
- 37682-29-4(2-Nitrophenyl octyl ether)
- 16365-25-6(2-(2-nitrophenoxy)ethan-1-ol)
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