Cas no 106898-42-4 (1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile)
106898-42-4 structure
Product Name:1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile
CAS No:106898-42-4
MF:C11H9ClN4
MW:232.66896033287
CID:2103351
PubChem ID:13746670
Update Time:2025-04-21
1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile
- DA-20108
- AKOS012582267
- 106898-42-4
-
- Inchi: 1S/C11H9ClN4/c12-10-4-2-1-3-8(10)7-16-11(14)9(5-13)6-15-16/h1-4,6H,7,14H2
- InChI Key: MUTDBZOTWYIUGE-UHFFFAOYSA-N
- SMILES: ClC1C=CC=CC=1CN1C(=C(C#N)C=N1)N
Computed Properties
- Exact Mass: 232.0515740Da
- Monoisotopic Mass: 232.0515740Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 287
- 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: 2.4
- Topological Polar Surface Area: 67.6?2
1-(2-chlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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