2,4-difluoro-5-hydroxybenzoic acid

CAT: 0127-PC1022315Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1022315Size:1 Each

Selected

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

Quick Request Actions

CAS Number

91659-22-2

MDL Number

MFCD12196973

Purity

97%

Smiles

C1 (c (cc (c (c1) O) F) F) C (=O) O

Chemical Information

2,4-Difluoro-5-hydroxybenzoic acid

CAS Number	91659-22-2
PubChem CID	12105142
IUPAC Name	2,4-difluoro-5-hydroxybenzoic acid
Molecular Formula	C7H4F2O3
Molecular Weight	174.10
XLogP	1.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	185

SMILES

C1=C(C(=CC(=C1O)F)F)C(=O)O

InChI

InChI=1S/C7H4F2O3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12)

InChIKey

IWLGKUJNINMMEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91659-22-2

CID: 12105142

Formula: C7H4F2O3

MW: 174.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.10
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	174.01285031
Monoisotopic Mass	174.01285031
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	185
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
PC1004404-01	2,5-Difluoro-4-hydroxybenzoic acid
PC502404-01	4,5-Difluoro-2-hydroxybenzoic acid
PC1004651-01	3,4-Difluoro-5-hydroxybenzoic acid
PC901597	3,5-Difluoro-4-hydroxybenzoic acid
PC53217	2,3-Difluoro-5-hydroxybenzoic acid
PC1142-01	3,5-Difluoro-2-hydroxybenzoic acid
PC901612-01	2,4-difluoro-3-hydroxybenzoic acid
PC8321-01	2,6-Difluoro-4-hydroxybenzoic acid
PC0867-01	2,3-Difluoro-4-hydroxybenzoic acid
PC7835-01	3,4-Difluoro-2-hydroxybenzoic acid

Catalog	Name
FIA53331-01	4,5-Difluoro-2-hydroxybenzoic acid
sc-482624	3,5-Difluoro-4-hydroxybenzoic acid
FD67838-01	4,5-Difluoro-3-hydroxybenzoic acid
FD65947	2,3-Difluoro-4-hydroxybenzoic acid
sc-482467	2,6-Difluoro-4-hydroxybenzoic acid
ARB12735-01	5-Amino-2,4-difluoro-3-hydroxybenzoic acid
TRC-D446117-25MG	2,6-Difluoro-4-hydroxybenzoic-d2 Acid
FD66549-01	3,5-Difluoro-4-hydroxybenzoic acid methyl ester
FD67619-01	2,6-Difluoro-4-hydroxybenzoic acid methyl ester
FD67080-01	2,4-Difluoro-3-hydroxybenzoic acid methyl ester