Cas no 34207-39-1 (Nitrous acid, phenyl ester)
Nitrous acid, phenyl ester structure
Product Name:Nitrous acid, phenyl ester
CAS No:34207-39-1
MF:C6H5NO2
MW:123.109401464462
CID:1462922
PubChem ID:13074983
Update Time:2025-04-20
Nitrous acid, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nitrous acid, phenyl ester
- phenyl nitrite
- 34207-39-1
- DTXSID90517410
- SCHEMBL306544
- phenylnitroso oxide
-
- Inchi： 1S/C6H5NO2/c8-7-9-6-4-2-1-3-5-6/h1-5H
- InChI Key： HTIXSIBTBYVJHX-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)N=O
Computed Properties
- Exact Mass: 123.03205
- Monoisotopic Mass: 123.032028402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 89.1
- 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: 1.6
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Nitrous acid, phenyl ester Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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