4-Fluorobenzoic acid

CAT: 0572-TRC-F596805-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-F596805-500MGSize:500 mg

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CAS Number

456-22-4

Synonyms

NSC 10321; p-Fluorobenzoic Acid;

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

OC(=O)c1ccc(F)cc1

Molecular Formula

C7H5FO2

Molecular Weight

140.11

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4-Fluorobenzoic Acid

4-fluorobenzoic acid is a fluorobenzoic acid carrying a fluoro substituent at position 4. It has a role as a bacterial xenobiotic metabolite. It is a conjugate acid of a 4-fluorobenzoate.

CAS Number	456-22-4
PubChem CID	9973
IUPAC Name	4-fluorobenzoic acid
Molecular Formula	C7H5FO2
Molecular Weight	140.11
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	128

SMILES

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

InChI

InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

BBYDXOIZLAWGSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 456-22-4

CID: 9973

Formula: C7H5FO2

MW: 140.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	140.11
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	140.02735756
Monoisotopic Mass	140.02735756
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	128
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

Related Products

Catalog	Name
TRC-B684620-5G	4-Bromo-2-fluorobenzoic Acid
TRC-C427700-25G	4-Chloro-3-fluorobenzoic Acid
TRC-B684620-10G	4-Bromo-2-fluorobenzoic Acid
TRC-C427700-10G	4-Chloro-3-fluorobenzoic Acid
TRC-C427700-2.5G	4-Chloro-3-fluorobenzoic Acid
TRC-B684620-25G	4-Bromo-2-fluorobenzoic Acid
TRC-D425635-2.5G	4,5-Dibromo-2-fluorobenzoic Acid
TRC-D625025-1G	2,4-Dibromo-5-fluorobenzoic Acid
TRC-F588381-1G	3-Fluorobenzoic Acid
TRC-F588380-1G	2-Fluorobenzoic Acid

Alternative Products

Catalog	Name
706001	4‐FLUOROBENZOIC ACID
sc-238848	4-Fluorobenzoic acid
HY-W013677S-01	4-Fluorobenzoic acid-13C6
432451-01	4-Fluorobenzoic Acid-d4
JNB99279-01	2-Cyclopropyl-4-fluorobenzoic acid
PYB38315-01	4- (Difluoromethoxy) -3-fluorobenzoic acid
UJA60633-01	4- (chlorosulfonyl) -3-fluorobenzoic acid
XZB92781-01	4-cyclopropyl-2-fluorobenzoic acid
XZB45123-01	4-Cyclopropyl-3-fluorobenzoic acid
VAC98157-01	4- (Difluoromethyl) -2-fluorobenzoic acid

4-Fluorobenzoic acid

Chemical Information

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