CAS 345-29-9 | 4-Fluoro-2-Hydroxybenzoic Acid | CAS Number 345-29-9

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345-29-9 | 4-Fluoro-2-Hydroxybenzoic Acid

CAS No: 345-29-9 Catalog No: AG003410 MDL No:MFCD00153168

Product Description

Catalog Number:

AG003410

Chemical Name:

4-Fluoro-2-Hydroxybenzoic Acid

CAS Number:

345-29-9

Molecular Formula:

C7H5FO3

Molecular Weight:

156.1112

MDL Number:

MFCD00153168

IUPAC Name:

4-fluoro-2-hydroxybenzoic acid

InChI:

InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)

InChI Key:

TTZOLDXHOCCNMF-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)O)C(=O)O

EC Number:

206-459-5

NSC Number:

109099

Properties

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.112g/mol

Monoisotopic Mass:

156.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Identifying chelators for metalloprotein inhibitors using a fragment-based approach.	Journal of medicinal chemistry 20110127
Salicylate activity. 3. Structure relationship to systemic acquired resistance.	Journal of agricultural and food chemistry 20051214