Cas no 6626-80-8 (2-(hydrazinecarbonyl)-3-nitrobenzoic Acid)
6626-80-8 structure
Product Name:2-(hydrazinecarbonyl)-3-nitrobenzoic Acid
CAS No:6626-80-8
MF:C8H7N3O5
MW:225.158281564713
CID:1706573
PubChem ID:5161106
Update Time:2025-04-21
2-(hydrazinecarbonyl)-3-nitrobenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydrazinecarbonyl)-3-nitrobenzoic Acid
- NSC58310
- AC1NPN3G
- NSC-58310
- NSC58310; AC1NPN3G; NSC-58310;
- 6626-80-8
- DTXSID60409030
-
- Inchi： 1S/C8H7N3O5/c9-10-7(12)6-4(8(13)14)2-1-3-5(6)11(15)16/h1-3H,9H2,(H,10,12)(H,13,14)
- InChI Key： ZFLWDLJBFKQAMJ-UHFFFAOYSA-N
- SMILES： O=C(C1C(=CC=CC=1C(=O)O)[N+](=O)[O-])NN
Computed Properties
- Exact Mass: 225.03861
- Monoisotopic Mass: 225.03857033g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 313
- 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: -2.5
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 135.56
- LogP: 1.51090
2-(hydrazinecarbonyl)-3-nitrobenzoic Acid Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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