Cas no 61735-72-6 (1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro-)
61735-72-6 structure
Product Name:1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro-
CAS No:61735-72-6
MF:C12H10ClN3O4
MW:295.678501605988
CID:468061
PubChem ID:12347922
Update Time:2025-04-19
1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro-
- 4-chloro-6,7-dimethyl-5,8-dinitronaphthalen-1-amine
- DTXSID60492982
- 61735-72-6
-
- Inchi: 1S/C12H10ClN3O4/c1-5-6(2)12(16(19)20)10-8(14)4-3-7(13)9(10)11(5)15(17)18/h3-4H,14H2,1-2H3
- InChI Key: UVXFJBRGAPCFSG-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C2=C(C(C)=C(C)C(=C21)[N+](=O)[O-])[N+](=O)[O-])N
Computed Properties
- Exact Mass: 295.0361
- Monoisotopic Mass: 295.0359835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 411
- 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: 3.5
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 112.3
1-Naphthalenamine, 4-chloro-6,7-dimethyl-5,8-dinitro- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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