Cas no 1804418-14-1 (3,5-Difluoro-2-methylbenzyl chloride)
1804418-14-1 structure
Product Name:3,5-Difluoro-2-methylbenzyl chloride
CAS No:1804418-14-1
MF:C8H7ClF2
MW:176.590988397598
CID:4706282
Update Time:2023-08-15
3,5-Difluoro-2-methylbenzyl chloride Chemical and Physical Properties
Names and Identifiers
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- 3,5-Difluoro-2-methylbenzyl chloride
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- Inchi： 1S/C8H7ClF2/c1-5-6(4-9)2-7(10)3-8(5)11/h2-3H,4H2,1H3
- InChI Key： HSEAEMQJFUWSQL-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C=C(C=1C)F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 129
- Topological Polar Surface Area: 0
3,5-Difluoro-2-methylbenzyl chloride Related Literature
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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