2-fluoro-3-formylbenzoic acid

CAT: 0926-PBC04316-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-PBC04316-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1289043-16-8

MDL Number

MFCD20526383

Smiles

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

Molecular Formula

C8H5FO3

Molecular Weight

168.1 g/mol

Controlled

Chemical Information

2-Fluoro-3-formylbenzoic acid

CAS Number	1289043-16-8
PubChem CID	74892427
IUPAC Name	2-fluoro-3-formylbenzoic acid
Molecular Formula	C8H5FO3
Molecular Weight	168.12
XLogP	1
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(=C1)C(=O)O)F)C=O

InChI

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

InChIKey

YJTYMNFESVPEKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1289043-16-8

CID: 74892427

Formula: C8H5FO3

MW: 168.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.12
XLogP3	1
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
UAC49637-01	3-fluoro-2-formylbenzoic acid
EZA00097-01	2-fluoro-4-formylbenzoic acid
PBC00585-01	3-Fluoro-5-formylbenzoic acid
FF79449-01	5-Fluoro-2-formylbenzoic acid
LXB04715-01	4-fluoro-2-formylbenzoic acid
FF172571-01	3-Fluoro-4-formylbenzoic acid
FF79414-01	2-Fluoro-5-formylbenzoic acid
PBC26650-01	2-fluoro-6-formylbenzoic acid
FF104795-01	4-fluoro-3-formylbenzoic Acid
GVB60523-01	2-chloro-6-fluoro-3-formylbenzoic acid