Cas no 59255-02-6 ( )
structure
Product Name:
CAS No:59255-02-6
MF:C13H12N4O
MW:240.260581970215
CID:949894
PubChem ID:323574
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(anilinodiazenyl)benzamide
- AC1L88X0
- NSC284703
- NSC-284703
- DS-012957
- SCHEMBL11878268
- 2-[(1E)-3-Phenyltriaz-1-en-1-yl]benzamide
- 59255-02-6
- 2-anilinodiazenylbenzamide
- DTXSID90314522
-
-
- Inchi： 1S/C13H12N4O/c14-13(18)11-8-4-5-9-12(11)16-17-15-10-6-2-1-3-7-10/h1-9H,(H2,14,18)(H,15,16)
- InChI Key： MGOSUKGAJKIVHS-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1/N=N/NC1C=CC=CC=1)N
Computed Properties
- Exact Mass: 240.10126
- Monoisotopic Mass: 240.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 299
- 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: 3.1
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 79.84
- LogP: 3.66960
Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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