Cas no 322-77-0 (Benzenamine,N-(3-fluorophenyl)-2-nitro-)
322-77-0 structure
Product Name:Benzenamine,N-(3-fluorophenyl)-2-nitro-
CAS No:322-77-0
MF:C12H9FN2O2
MW:232.210466146469
CID:319759
PubChem ID:261398
Update Time:2025-04-19
Benzenamine,N-(3-fluorophenyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N-(3-fluorophenyl)-2-nitro-
- N-(3-fluorophenyl)-2-nitroaniline
- (3-fluoro-phenyl)-(2-nitro-phenyl)-amine
- (3-Fluor-phenyl)-(2-nitro-phenyl)-amin
- 2-Nitro-3'-fluor-diphenylamin
- AC1L6581
- AC1Q214N
- CTK8I1893
- HMS3087K13
- N-(3-fluorophenyl)-N-(2-nitrophenyl)amine
- NCIOpen2_005785
- NSC93397
- SureCN4942171
- MLS002695202
- 322-77-0
- NSC-93397
- DTXSID00294003
- CHEMBL1711364
- SCHEMBL4942171
- UVFHTYFDGVMEAP-UHFFFAOYSA-N
- SMR001561113
-
- Inchi： 1S/C12H9FN2O2/c13-9-4-3-5-10(8-9)14-11-6-1-2-7-12(11)15(16)17/h1-8,14H
- InChI Key： UVFHTYFDGVMEAP-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)NC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 232.06487
- Monoisotopic Mass: 232.06480570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 270
- 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: 3.8
- Topological Polar Surface Area: 57.8?2
Experimental Properties
- PSA: 55.17
- LogP: 4.07370
Benzenamine,N-(3-fluorophenyl)-2-nitro- Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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