Cas no 1261791-30-3 (3-(Chloromethyl)-5-fluorobenzonitrile)
1261791-30-3 structure
Product Name:3-(Chloromethyl)-5-fluorobenzonitrile
CAS No:1261791-30-3
MF:C8H5ClFN
MW:169.583404302597
CID:2761346
PubChem ID:72214179
Update Time:2025-04-21
3-(Chloromethyl)-5-fluorobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- AB75588
- SCHEMBL20560376
- AKOS017514931
- 1261791-30-3
- 3-(CHLOROMETHYL)-5-FLUOROBENZONITRILE
- 3-(Chloromethyl)-5-fluorobenzonitrile
-
- Inchi： 1S/C8H5ClFN/c9-4-6-1-7(5-11)3-8(10)2-6/h1-3H,4H2
- InChI Key： ILHMMAZNAJPBDF-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C=C(C#N)C=1)F
Computed Properties
- Exact Mass: 169.0094550Da
- Monoisotopic Mass: 169.0094550Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 2.1
- Topological Polar Surface Area: 23.8?2
3-(Chloromethyl)-5-fluorobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013010308-1g |
3-Cyano-5-fluorobenzyl chloride |
1261791-30-3 | 97% | 1g |
1,534.70 USD | 2021-06-25 |
3-(Chloromethyl)-5-fluorobenzonitrile Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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