16336-26-8 (2H-1-苯并吡喃，6-硝基-,2H-1-Benzopyran, 6-nitro-)

快速询单

结构式：

2H-1-苯并吡喃，6-硝基-MOL文件

CAS号：

16336-26-8

中文名称：

2H-1-苯并吡喃，6-硝基-

英文名称：

2H-1-Benzopyran, 6-nitro-

分子式：

C₉H₇NO₃

分子量：

177.156782388687

2H-1-苯并吡喃，6-硝基-(16336-26-8)名称与标识符

名称

英文别名：

2H-1-Benzopyran, 6-nitro-;6-nitro-2H-chromene;SCHEMBL6950684;16336-26-8;AKOS006370193;6-nitrochromene;DTXSID50451220;

标识符

InChIKey：

WTOXZRRTHAQEGL-UHFFFAOYSA-N

Inchi：

1S/C9H7NO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h1-4,6H,5H2

SMILES：

O1CC=CC2C=C(C=CC1=2)[N+](=O)[O-]

2H-1-苯并吡喃，6-硝基-(16336-26-8)物化性质

实验特性

PSA : 52.37

计算特性

精确分子量 : 177.04261
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 177.042593085g/mol
重原子数量 : 13
复杂度 : 234
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.1
拓扑分子极性表面积 : 55Å²

2H-1-苯并吡喃，6-硝基-(16336-26-8)相关文献

1. Palladium-catalyzed arylation of 2H-chromene: a new entry to pyrano[2,3-c]carbazoles
K. Ranjith Reddy,A. Siva Reddy,Devendra K. Dhaked,S. K. Rasheed,Anup Singh Pathania,Ravi Shankar,Fayaz Malik,Parthasarathi Das Org. Biomol. Chem. 2015 13 9285
2. A simple and efficient one-pot synthesis of 2-alkyl/aryl/pyridyl substituted 2H-chromenes
Lenka Chandrasekhara Rao,Nandigama Satish Kumar,Nanubolu Jagadeesh Babu,Harshadas Mitaram Meshram New J. Chem. 2015 39 7164
3. Studies of chromenes. Part 5. Reaction of the Vilsmeier reagent with 7-methoxy-2,2-dimethylchroman-4-ones. 4-Chloro-7-methoxy-2,2-dimethyl-2H-chromenes and their nitration products.
Philip E. Brown,Wafa Y. Marcus,Panayiotis Anastasis J. Chem. Soc. Perkin Trans. 1 1985 1127
4. Crystal and molecular structure of CoCl2(L)(1/2 acetone) where L is =[8-methoxy-3-methyl-6-nitro-2H-1-benzopyran-2-spiro-2′-(3-methyl-benzothiazoline)]
Erika Miler-Srenger,Robert Guglielmetti J. Chem. Soc. Perkin Trans. 2 1987 1413
5. Synthesis of 4-trifluoromethyl-2H-chromenes via the reaction of 2-(trifluoroacetyl)phenols with vinyltriphenylphosphonium chloride
Alexander S. Golubev,Petr N. Ostapchuk,Tatiana V. Strelkova,Nikolai D. Kagramanov,Kyrill Yu. Suponitsky,Rina U. Takazova,Nikolai D. Chkanikov Org. Biomol. Chem. 2022 20 6809
6. Index pages
J. Chem. Soc. Perkin Trans. 2 1987 A001
7. Indium-catalyzed intramolecular hydroarylation of aryl propargyl ethers
Lorena Alonso-Mara?ón,M. Montserrat Martínez,Luis A. Sarandeses,José Pérez Sestelo Org. Biomol. Chem. 2015 13 379
8. Competition between OH?O and multiple halogen–dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins
Rocío J. Santos-Contreras,Francisco J. Martínez-Martínez,N. Alejandra Mancilla-Margalli,Ana L. Peraza-Campos,Luis M. Morín-Sánchez,Efrén V. García-Báez,Itzia I. Padilla-Martínez CrystEngComm 2009 11 1451
9. Synthesis and reactions of α-fluorovinylphosphonium salts
Takeshi Hanamoto,Keiko Shindo,Miki Matsuoka,Yasuhide Kiguchi,Michio Kondo J. Chem. Soc. Perkin Trans. 1 2000 103
10. Contents pages
J. Chem. Soc. Perkin Trans. 2 1987 P037