Cas no 61854-60-2 (Quinoline, 6-chloro-2-methyl-8-nitro-)
61854-60-2 structure
Product Name:Quinoline, 6-chloro-2-methyl-8-nitro-
CAS No:61854-60-2
MF:C10H7ClN2O2
MW:222.627781152725
CID:464593
PubChem ID:10977060
Update Time:2025-04-19
Quinoline, 6-chloro-2-methyl-8-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 6-chloro-2-methyl-8-nitro-
- 6-chloro-2-methyl-8-nitroquinoline
- DTXSID90450494
- 61854-60-2
- SCHEMBL10698487
-
- Inchi: 1S/C10H7ClN2O2/c1-6-2-3-7-4-8(11)5-9(13(14)15)10(7)12-6/h2-5H,1H3
- InChI Key: YZQDFZQKPPIIMZ-UHFFFAOYSA-N
- SMILES: ClC1C=C(C2C(C=1)=CC=C(C)N=2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 222.01971
- Monoisotopic Mass: 222.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 256
- 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: 2.6
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- PSA: 56.03
Quinoline, 6-chloro-2-methyl-8-nitro- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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