Cas no 62224-06-0 (Benzene, 1,3-bis(bromomethyl)-5-fluoro-2-methoxy-)
62224-06-0 structure
Product Name:Benzene, 1,3-bis(bromomethyl)-5-fluoro-2-methoxy-
CAS No:62224-06-0
MF:C9H9Br2FO
MW:311.973564863205
CID:453709
PubChem ID:71388618
Update Time:2025-04-19
Benzene, 1,3-bis(bromomethyl)-5-fluoro-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-bis(bromomethyl)-5-fluoro-2-methoxy-
- 1,3-bis(bromomethyl)-5-fluoro-2-methoxybenzene
- 62224-06-0
- DTXSID10810677
-
- Inchi： 1S/C9H9Br2FO/c1-13-9-6(4-10)2-8(12)3-7(9)5-11/h2-3H,4-5H2,1H3
- InChI Key： NDACIJROQWPHQO-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C=C(CBr)C=1OC)F
Computed Properties
- Exact Mass: 309.90037
- Monoisotopic Mass: 309.90042g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 143
- 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: 3.1
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,3-bis(bromomethyl)-5-fluoro-2-methoxy- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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