2-bromo-4-phenoxy-Benzoic acid

CAT: 0127-OR1081423-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081423-01Size:250 mg

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CAS Number

1237123-42-0

MDL Number

MFCD32155865

Purity

95%

Smiles

O (c1cc (Br) c (C (=O) O) cc1) c1ccccc1

Chemical Information

Benzoic acid, 2-bromo-4-phenoxy-

CAS Number	1237123-42-0
PubChem CID	107282437
IUPAC Name	2-bromo-4-phenoxybenzoic acid
Molecular Formula	C13H9BrO3
Molecular Weight	293.11
XLogP	3.7
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	263

SMILES

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

InChI

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

InChIKey

YBOAAWHVVOJIHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1237123-42-0

CID: 107282437

Formula: C13H9BrO3

MW: 293.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.11
XLogP3	3.7
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	263
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
PC1017981-01	2-fluoro-4-phenoxy-Benzoic acid
PC303551	4-Phenoxy-2- (trifluoromethyl) benzoic acid
OR1005367	2- ((4- (Carboxymethyl) phenoxy) methyl) benzoic acid
OR1088773-01	4-bromo-2- (methylthio) benzoic acid
PC1002767-01	2-Bromo-4- (fluorosulfonyl) benzoic acid
OR7823	4-Bromo-2- (methylsulphonyl) benzoic acid
OR77196-01	4-Bromo-2- (methylamino) benzoic acid
OR957980-01	4-Bromo-2- (hydroxymethyl) benzoic acid
PC11107	2-Bromo-4- (trifluoromethyl) benzoic acid
PC502695-01	4-Bromo-2- (trifluoromethoxy) benzoic acid

Catalog	Name
291349-01	2-[4- (Trifluoromethyl) Phenoxy]Benzoic Acid
428490-01	4- (2- (Methoxycarbonyl) phenoxy) benzoic Acid
TRC-M328165-25MG	4-(2-(Methoxycarbonyl)phenoxy)benzoic Acid
WQB14457-01	4-[4- (Cyanomethyl) phenoxy]benzoic acid
sc-471598	4-[4- (Trifluoromethyl) phenoxy]benzoic acid
SZA24531-01	4-[4- (Trifluoromethoxy) phenoxy]benzoic acid
AR-M03341-01	2- ((4- (Carboxymethyl) phenoxy) methyl) benzoic acid
sc-347958A	4- (4-Chloro-2-nitro-phenoxy) -benzoic acid
NMB27118-01	4-[2- (Propan-2-yl) phenoxy]benzoic acid
sc-273793	2- (2-Phenoxy-ethoxy) -benzoic acid