2-Fluoro-4-formylbenzoic acid

CAT: 0024-sc-356440ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-356440ASize:5 g

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CAS Number

604000-97-7

Chemical Information

2-Fluoro-4-formylbenzoic acid

CAS Number	604000-97-7
PubChem CID	18441958
IUPAC Name	2-fluoro-4-formylbenzoic acid
Molecular Formula	C8H5FO3
Molecular Weight	168.12
XLogP	1.4
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	193

SMILES

C1=CC(=C(C=C1C=O)F)C(=O)O

InChI

InChI=1S/C8H5FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4H,(H,11,12)

InChIKey

MBTIUAFUJPATDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 604000-97-7

CID: 18441958

Formula: C8H5FO3

MW: 168.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.12
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	168.02227218
Monoisotopic Mass	168.02227218
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-259868A	2-Fluoro-5-formylbenzoic acid
sc-259868	2-Fluoro-5-formylbenzoic acid
sc-238857	4-Formylbenzoic acid
sc-238857A	4-Formylbenzoic acid
sc-238553	3-Formylbenzoic acid
sc-334860	2- (Benzyloxy) -5-formylbenzoic acid methyl ester
sc-506722	3-Bromo-5-formylbenzoic acid
sc-261922	4-Fluoro-2-methoxybenzoic acid
sc-238045	2-Fluoro-4-biphenylylboronic acid
sc-280274	2-Fluoro-4-methoxybenzoic acid

Catalog	Name
EZA00097-01	2-fluoro-4-formylbenzoic acid
LXB04715-01	4-fluoro-2-formylbenzoic acid
425626-01	3-Fluoro-4-formylbenzoic acid
PC501645-01	4-Fluoro-3-formylbenzoic acid
PC501602-01	5-Fluoro-2-formylbenzoic acid
PBC04316-01	2-fluoro-3-formylbenzoic acid
PC501654-01	2-Fluoro-6-formylbenzoic acid
PC501640-01	3-Fluoro-2-formylbenzoic acid
HY-41559-01	2-Fluoro-5-formylbenzoic acid
PC1016304-01	2-Chloro-4-fluoro-5-formylbenzoic acid