CAS
92044-87-6 Purity
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92044-87-6 Purity
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5-Fluoro-2-formylbenzoic acid
CAS
920481-01-2
Catalog Number
ACM920481012
Category
Other Products
Molecular Weight
168.13
Molecular Formula
C8H5FO3
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
5-Fluoro-2-formylbenzoic acid, 5-fluoro-2-formyl-benzoic acid, 920481-01-2, CTK5H0845, MolPort-004-962-313, AKOS005209318, AG-H-77820, KB-99136, KB-245946
IUPAC Name
5-fluoro-2-formylbenzoic acid
SMILES
C1=CC(=C(C=C1F)C(=O)O)C=O
InChI Key
ZRTCSMCEKXQYMJ-UHFFFAOYSA-N
Boiling Point
327.6ºC at 760 mmHg
Flash Point
151.9ºC
Density
1.426g/cm³
Exact Mass
168.02200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 5-Fluoro-2-formylbenzoic acid?
The molecular formula of 5-Fluoro-2-formylbenzoic acid is C8H5FO3.
What is the molecular weight of 5-Fluoro-2-formylbenzoic acid?
The molecular weight of 5-Fluoro-2-formylbenzoic acid is 168.12 g/mol.
What is the IUPAC name of 5-Fluoro-2-formylbenzoic acid?
The IUPAC name of 5-Fluoro-2-formylbenzoic acid is 5-fluoro-2-formylbenzoic acid.
What is the InChI of 5-Fluoro-2-formylbenzoic acid?
The InChI of 5-Fluoro-2-formylbenzoic acid is InChI=1S/C8H5FO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12).
What is the InChIKey of 5-Fluoro-2-formylbenzoic acid?
The InChIKey of 5-Fluoro-2-formylbenzoic acid is ZRTCSMCEKXQYMJ-UHFFFAOYSA-N.
What is the CAS number of 5-Fluoro-2-formylbenzoic acid?
The CAS number of 5-Fluoro-2-formylbenzoic acid is 920481-01-2.
How many hydrogen bond donor count does 5-Fluoro-2-formylbenzoic acid have?
5-Fluoro-2-formylbenzoic acid has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does 5-Fluoro-2-formylbenzoic acid have?
5-Fluoro-2-formylbenzoic acid has 4 hydrogen bond acceptor count.
What is the topological polar surface area of 5-Fluoro-2-formylbenzoic acid?
The topological polar surface area of 5-Fluoro-2-formylbenzoic acid is 54.4 Å2.
Downstream Synthesis Route 1
- 120-72-9
- 920481-01-2
- 1058165-07-3
Reference: [1]Tetrahedron Letters,2008,vol. 49,p. 5343 - 5346
Downstream Synthesis Route 2
- 920481-01-2
- 77-78-1
- 1194374-71-4
Reference: [1]Organic Letters,2014,vol. 16,p. 6366 - 6369
[2]Journal of Organic Chemistry,2010,vol. 75,p. 368 - 374
[3]Tetrahedron Letters,2018,p. 1564 - 1567
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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