Cas no 4402-14-6 ( )
structure
Product Name:
CAS No:4402-14-6
MF:C16H12N6O8
MW:416.301882743835
CID:929295
PubChem ID:4540388
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-N',2-N'-bis(3-nitrobenzoyl)ethanedihydrazide
- 1,2-Bis-(3-nitro-benzoylhydrazino)-glyoxal
- NSC209068
- oxalic acid bis-[N'-(3-nitro-benzoyl)-hydrazide]
- N'~1~,N'~2~-Bis(3-nitrobenzoyl)ethanedihydrazide
- DTXSID70404071
- 4402-14-6
- NSC-209068
-
-
- Inchi: 1S/C16H12N6O8/c23-13(9-3-1-5-11(7-9)21(27)28)17-19-15(25)16(26)20-18-14(24)10-4-2-6-12(8-10)22(29)30/h1-8H,(H,17,23)(H,18,24)(H,19,25)(H,20,26)
- InChI Key: XYWQMWPEMIAQEX-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=C(C=1)[N+](=O)[O-])NNC(C(NNC(C1C=CC=C(C=1)[N+](=O)[O-])=O)=O)=O
Computed Properties
- Exact Mass: 416.07176
- Monoisotopic Mass: 416.07166136g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 2
- Complexity: 658
- 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: 2.3
- Topological Polar Surface Area: 208?2
Experimental Properties
- PSA: 202.68
- LogP: 2.33520
Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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