4- (4-Bromophenoxy) benzoic acid

CAT: 0024-sc-226373Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226373Size:1 g

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CAS Number

21120-68-3

Chemical Information

4-(4-Bromophenoxy)benzoic acid

CAS Number	21120-68-3
PubChem CID	4205865
IUPAC Name	4-(4-bromophenoxy)benzoic acid
Molecular Formula	C13H9BrO3
Molecular Weight	293.11
XLogP	4.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	253

SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H9BrO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)

InChIKey

GQZGWHFUVISZQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21120-68-3

CID: 4205865

Formula: C13H9BrO3

MW: 293.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.11
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	291.97351
Monoisotopic Mass	291.97351
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	253
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
sc-339632	2- (3-bromophenoxy) benzoic acid
sc-339632A	2- (3-bromophenoxy) benzoic acid
sc-347947A	4- (4-bromophenoxy) -3-fluorobenzoic acid
sc-347947	4- (4-bromophenoxy) -3-fluorobenzoic acid
sc-347617	4- (2-bromophenoxy) butanoic acid
sc-344396	3- (4-bromophenoxy) propanoic acid
sc-347617A	4- (2-bromophenoxy) butanoic acid
sc-344396A	3- (4-bromophenoxy) propanoic acid
sc-305456	2- (4-Bromophenoxy) butanoic acid
sc-339817A	2- (4-bromophenoxy) nicotinic acid

Catalog	Name
266212-01	4- (4-Bromophenoxy) benzoic acid
XNA17346-01	4- (3-Bromophenoxy) benzoic acid
413644-01	2- (4-Bromophenoxy) benzoic acid
OR1067054-01	4- ((4-Bromophenoxy) methyl) benzoic acid
232511-01	4- (4-Bromophenoxy) benzoic acid ≥97% (HPLC)
WQB24585-01	2- (3-Bromophenoxy) benzoic acid
C6536-1000	4-(Aminomethyl)benzoic acid
ZHA53500-01	4- (Methylsulfonylmethyl) benzoic acid
Q-1185.0005	4-Hydroxymethyl-benzoic acid
QAA87243-01	4- (Nonyloxy) benzoic acid