Cas no 562803-62-7 (BENZONITRILE, 3-(1H-PYRAZOL-1-YLMETHYL)-)
562803-62-7 structure
Product Name:BENZONITRILE, 3-(1H-PYRAZOL-1-YLMETHYL)-
CAS No:562803-62-7
MF:C11H9N3
MW:183.209261655807
CID:3393661
PubChem ID:24692093
Update Time:2025-04-21
BENZONITRILE, 3-(1H-PYRAZOL-1-YLMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZONITRILE, 3-(1H-PYRAZOL-1-YLMETHYL)-
- AKOS000170921
- DA-04844
- DTXSID40876680
- SCHEMBL24733022
- 562803-62-7
- PYRAZOLE,1-M-CYANOBENZYL
- CHEMBL162939
-
- Inchi： 1S/C11H9N3/c12-8-10-3-1-4-11(7-10)9-14-6-2-5-13-14/h1-7H,9H2
- InChI Key： XBYBAGJXNBFJON-UHFFFAOYSA-N
- SMILES： N1(C=CC=N1)CC1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 183.079647300Da
- Monoisotopic Mass: 183.079647300Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 230
- 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: 1.5
- Topological Polar Surface Area: 41.6?2
BENZONITRILE, 3-(1H-PYRAZOL-1-YLMETHYL)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jason Wan Lab Chip, 2020,20, 4528-4538
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