CAS 2991-28-8 | 2,5-Difluorobenzoic acid | CAS Number 2991-28-8

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2991-28-8 | 2,5-Difluorobenzoic acid

CAS No: 2991-28-8 Catalog No: AG003FYC MDL No:MFCD00002410

Product Description

Catalog Number:

AG003FYC

Chemical Name:

2,5-Difluorobenzoic acid

CAS Number:

2991-28-8

Molecular Formula:

C7H4F2O2

Molecular Weight:

158.1023

MDL Number:

MFCD00002410

IUPAC Name:

2,5-difluorobenzoic acid

InChI:

InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

InChI Key:

LBQMIAVIGLLBGW-UHFFFAOYSA-N

SMILES:

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

EC Number:

221-060-6

NSC Number:

190310

Properties

Complexity:

161

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

158.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.104g/mol

Monoisotopic Mass:

158.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
catena-Poly[[trimethyl-tin(IV)]-μ-2,5-difluoro-benzoato-κO:O'].	Acta crystallographica. Section E, Structure reports online 20090101
Tetra-μ-2,5-difluoro-benzoato-bis-[(2,2'-bipyridine)(2,5-difluoro-benzoato)gadolinium(III)].	Acta crystallographica. Section E, Structure reports online 20080901