Cas no 646054-88-8 (Benzene, 2,4-diazido-1,3,5-trimethyl-)
646054-88-8 structure
Product Name:Benzene, 2,4-diazido-1,3,5-trimethyl-
CAS No:646054-88-8
MF:C9H10N6
MW:202.215899944305
CID:421790
PubChem ID:71379513
Update Time:2025-04-19
Benzene, 2,4-diazido-1,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2,4-diazido-1,3,5-trimethyl-
- 2,4-diazido-1,3,5-trimethylbenzene
- 646054-88-8
- DTXSID10802072
-
- Inchi： 1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3
- InChI Key： LAOFZMXMVSVMQS-UHFFFAOYSA-N
- SMILES： N(C1C(C)=CC(C)=C(C=1C)N=[N+]=[N-])=[N+]=[N-]
Computed Properties
- Exact Mass: 202.0969
- Monoisotopic Mass: 202.09669434g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 4.9
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 97.52
Benzene, 2,4-diazido-1,3,5-trimethyl- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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