Cas no 69709-34-8 (Benzene, 1-nitro-2-[(phenylsulfonyl)methyl]-)
![Benzene, 1-nitro-2-[(phenylsulfonyl)methyl]- structure](https://ossimg.kuujia.com/scimg/70000/69709-34-8x500.png)
69709-34-8 structure
Product Name:Benzene, 1-nitro-2-[(phenylsulfonyl)methyl]-
CAS No:69709-34-8
MF:C13H11NO4S
MW:277.295742273331
CID:391479
PubChem ID:363890
Update Time:2025-04-19
Benzene, 1-nitro-2-[(phenylsulfonyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-nitro-2-[(phenylsulfonyl)methyl]-
- 1-(benzenesulfonylmethyl)-2-nitrobenzene
- MLS000912006
- 2NO2Bz-SO2-Ph
- NSC629270
- 69709-34-8
- SCHEMBL4068758
- CHEMBL2133521
- SMR000471399
- Hydroxy(2-((phenylsulfonyl)methyl)phenyl)azane oxide
- DTXSID90327076
- phenylsulfonylmethylnitrobenzene
- YEDRXKUMPDYLDG-UHFFFAOYSA-N
- NSC-629270
- 2-(Phenylsulfonylmethyl)-1-nitrobenzene
- HMS2209C03
- HMS3344F22
- 1-(benzenesulfonylmethyl)-2-nitro-benzene
- 2-Nitrobenzyl phenyl sulfone
-
- Inchi： 1S/C13H11NO4S/c15-14(16)13-9-5-4-6-11(13)10-19(17,18)12-7-2-1-3-8-12/h1-9H,10H2
- InChI Key： YEDRXKUMPDYLDG-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(CC1C=CC=CC=1[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 277.04093
- Monoisotopic Mass: 277.04087901g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 403
- 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: 2.5
- Topological Polar Surface Area: 88.3?2
Experimental Properties
- PSA: 77.28
Benzene, 1-nitro-2-[(phenylsulfonyl)methyl]- Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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