Cas no 18087-51-9 (3-bromo-1,2,4-trimethyl-5-nitrobenzene)
18087-51-9 structure
Product Name:3-bromo-1,2,4-trimethyl-5-nitrobenzene
CAS No:18087-51-9
MF:C9H10BrNO2
MW:244.085201740265
CID:906897
PubChem ID:321408
Update Time:2025-04-19
3-bromo-1,2,4-trimethyl-5-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-1,2,4-trimethyl-5-nitrobenzene
- 3-Brom-2,4,5-Trimethylnitrobenzol
- 3-Brom-5-nitro-1,2,4-trimethylbenzol
- 3-Brom-5-nitro-1,2,4-trimethyl-benzol
- AC1L847J
- CCG-37837
- NCI271928
- NCIStruc1_000675
- NCIStruc2_000778
- NSC271928
- NCGC00097732-01
- 18087-51-9
- CHEMBL1742245
- NSC-271928
- NCGC00014629-02
- DTXSID70313538
- (3-bromo-2,4,5-trimethylphenyl)(hydroxy)azane oxide
- NCGC00014629
- NCI60_002221
- SCHEMBL19948334
-
- Inchi： 1S/C9H10BrNO2/c1-5-4-8(11(12)13)7(3)9(10)6(5)2/h4H,1-3H3
- InChI Key： KPQBZJCFTJHRJU-UHFFFAOYSA-N
- SMILES： BrC1=C(C)C(=CC(C)=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 242.9895
- Monoisotopic Mass: 242.98949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 204
- 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: 45.8?2
Experimental Properties
- PSA: 43.14
- LogP: 3.80570
3-bromo-1,2,4-trimethyl-5-nitrobenzene Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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