Cas no 258832-75-6 (2-Quinazolineacetonitrile,4,6-dichloro-)
258832-75-6 structure
Product Name:2-Quinazolineacetonitrile,4,6-dichloro-
CAS No:258832-75-6
MF:C10H5Cl2N3
MW:238.072799444199
CID:247073
PubChem ID:90471203
Update Time:2025-04-19
2-Quinazolineacetonitrile,4,6-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Quinazolineacetonitrile,4,6-dichloro-
- 2-(4,6-Dichloroquinazolin-2-yl)acetonitrile
- 258832-75-6
-
- Inchi： 1S/C10H5Cl2N3/c11-6-1-2-8-7(5-6)10(12)15-9(14-8)3-4-13/h1-2,5H,3H2
- InChI Key： GNCNYAVKIVUSMD-UHFFFAOYSA-N
- SMILES： ClC1=C2C=C(C=CC2=NC(CC#N)=N1)Cl
Computed Properties
- Exact Mass: 236.9860526g/mol
- Monoisotopic Mass: 236.9860526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 275
- 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: 2.8
- Topological Polar Surface Area: 49.6?2
2-Quinazolineacetonitrile,4,6-dichloro- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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