Cas no 883576-31-6 (BENZALDEHYDE, 2-FLUORO-3-HYDROXY-5-METHOXY-)
883576-31-6 structure
Product Name:BENZALDEHYDE, 2-FLUORO-3-HYDROXY-5-METHOXY-
CAS No:883576-31-6
MF:C8H7FO3
MW:170.137786149979
CID:3350225
PubChem ID:59495309
Update Time:2025-04-21
BENZALDEHYDE, 2-FLUORO-3-HYDROXY-5-METHOXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZALDEHYDE, 2-FLUORO-3-HYDROXY-5-METHOXY-
- 2-fluoro-3-hydroxy-5-Methoxybenzaldehyde
- SCHEMBL2597207
- 883576-31-6
- BVPFCUADFTZQIN-UHFFFAOYSA-N
- fluoro-3-hydroxy-5-methoxybenzaldehyde
- DB-024485
-
- Inchi： 1S/C8H7FO3/c1-12-6-2-5(4-10)8(9)7(11)3-6/h2-4,11H,1H3
- InChI Key： BVPFCUADFTZQIN-UHFFFAOYSA-N
- SMILES： C(=O)C1=CC(OC)=CC(O)=C1F
Computed Properties
- Exact Mass: 170.03792224Da
- Monoisotopic Mass: 170.03792224Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 1.1
- Topological Polar Surface Area: 46.5?2
BENZALDEHYDE, 2-FLUORO-3-HYDROXY-5-METHOXY- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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