Cas no 701268-62-4 (Benzaldehyde, 2-fluoro-4-methoxy-3-(phenylmethoxy)-)
701268-62-4 structure
Product Name:Benzaldehyde, 2-fluoro-4-methoxy-3-(phenylmethoxy)-
CAS No:701268-62-4
MF:C15H13FO3
MW:260.260328054428
CID:1741930
PubChem ID:561295
Update Time:2025-04-21
Benzaldehyde, 2-fluoro-4-methoxy-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-fluoro-4-methoxy-3-(phenylmethoxy)-
- 3-(Benzyloxy)-2-fluoro-4-methoxybenzaldehyde #
- SCHEMBL5038227
- 3-(Benzyloxy)-2-fluoro-4-methoxybenzaldehyde
- Benzaldehyde, 3-benzyloxy-2-fluoro-4-methoxy-
- 701268-62-4
- GKABEIWEWXFWMQ-UHFFFAOYSA-N
-
- Inchi： 1S/C15H13FO3/c1-18-13-8-7-12(9-17)14(16)15(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
- InChI Key： GKABEIWEWXFWMQ-UHFFFAOYSA-N
- SMILES： FC1=C(C=O)C=CC(=C1OCC1C=CC=CC=1)OC
Computed Properties
- Exact Mass: 260.08489
- Monoisotopic Mass: 260.08487243g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 279
- 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: 2.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzaldehyde, 2-fluoro-4-methoxy-3-(phenylmethoxy)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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