Cas no 959939-24-3 (Phenol, 3-amino-2-fluoro-4-nitro-)
959939-24-3 structure
Product Name:Phenol, 3-amino-2-fluoro-4-nitro-
CAS No:959939-24-3
MF:C6H5FN2O3
MW:172.113904714584
CID:1001893
PubChem ID:45120132
Update Time:2025-04-20
Phenol, 3-amino-2-fluoro-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-amino-2-fluoro-4-nitro-
- 3-amino-2-fluoro-4-nitrophenol
- SCHEMBL1399686
- SCHEMBL12809082
- 959939-24-3
- AT11815
- XQHNLDMSQIXTGJ-UHFFFAOYSA-N
- DB-331057
-
- Inchi: 1S/C6H5FN2O3/c7-5-4(10)2-1-3(6(5)8)9(11)12/h1-2,10H,8H2
- InChI Key: XQHNLDMSQIXTGJ-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC(=C1N)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 172.02842019g/mol
- Monoisotopic Mass: 172.02842019g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- 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: 1.4
- Topological Polar Surface Area: 92.1?2
Phenol, 3-amino-2-fluoro-4-nitro- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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