Cas no 61499-36-3 (1-Naphthalenecarbonitrile, 4-chloro-3-nitro-)
61499-36-3 structure
Product Name:1-Naphthalenecarbonitrile, 4-chloro-3-nitro-
CAS No:61499-36-3
MF:C11H5ClN2O2
MW:232.622601270676
CID:477098
PubChem ID:71395230
Update Time:2025-04-19
1-Naphthalenecarbonitrile, 4-chloro-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarbonitrile, 4-chloro-3-nitro-
- 4-chloro-3-nitronaphthalene-1-carbonitrile
- 4-Chloro-3-nitro-1-naphthonitrile
- DTXSID80816863
- 61499-36-3
-
- Inchi： 1S/C11H5ClN2O2/c12-11-9-4-2-1-3-8(9)7(6-13)5-10(11)14(15)16/h1-5H
- InChI Key： JYCRYESHCFGJEX-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C#N)=C2C=CC=CC2=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 232.00405
- Monoisotopic Mass: 232.0039551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 333
- 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: 3.3
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 66.93
1-Naphthalenecarbonitrile, 4-chloro-3-nitro- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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