Cas no 887585-35-5 (4,5-Difluoro-3-methoxyphenyl acetic acid)
887585-35-5 structure
Product Name:4,5-Difluoro-3-methoxyphenyl acetic acid
CAS No:887585-35-5
MF:C9H8F2O3
MW:202.154829978943
CID:2191381
Update Time:2023-08-07
4,5-Difluoro-3-methoxyphenyl acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Difluoro-3-methoxybenzyl acetic acid
- 2-(3,4-difluoro-5-methoxyphenyl)acetic acid
- 4,5-Difluoro-3-methoxyphenyl acetic acid
- SBJJRVSWJFKCHP-UHFFFAOYSA-N
- (3,4-Difluoro-5-methoxyphenyl)acetic acid
- Benzeneacetic acid, 3,4-difluoro-5-methoxy-
-
- Inchi： 1S/C9H8F2O3/c1-14-7-3-5(4-8(12)13)2-6(10)9(7)11/h2-3H,4H2,1H3,(H,12,13)
- InChI Key： SBJJRVSWJFKCHP-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=CC=1OC)CC(=O)O)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- Topological Polar Surface Area: 46.5
4,5-Difluoro-3-methoxyphenyl acetic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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