Cas no 18203-70-8 (Isoquinoline, 4-bromo-1-chloro-5-nitro-)
18203-70-8 structure
Product Name:Isoquinoline, 4-bromo-1-chloro-5-nitro-
CAS No:18203-70-8
MF:C9H4BrClN2O2
MW:287.497260093689
CID:1373758
PubChem ID:21979982
Update Time:2025-04-20
Isoquinoline, 4-bromo-1-chloro-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 4-bromo-1-chloro-5-nitro-
- 18203-70-8
- SCHEMBL1998621
- ODNWMKOLHPHFAM-UHFFFAOYSA-N
- 4-bromo-1-chloro-5-nitroisoquinoline
-
- Inchi： 1S/C9H4BrClN2O2/c10-6-4-12-9(11)5-2-1-3-7(8(5)6)13(14)15/h1-4H
- InChI Key： ODNWMKOLHPHFAM-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C2C=CC=C(C=21)[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 285.91452
- Monoisotopic Mass: 285.91447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 261
- 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: 3.6
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- PSA: 56.03
Isoquinoline, 4-bromo-1-chloro-5-nitro- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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