4- (4-Bromophenoxy) phenylboronic acid

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CAS Number

1451393-47-7

MDL Number

MFCD23713087

Smiles

C1c (ccc (c1) B (O) O) Oc1ccc (cc1) Br

Chemical Information

4-(4-Bromophenoxy)phenylboronic acid

CAS Number	1451393-47-7
PubChem CID	74892426
IUPAC Name	[4-(4-bromophenoxy)phenyl]boronic acid
Molecular Formula	C12H10BBrO3
Molecular Weight	292.92
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	224

SMILES

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

InChI

InChI=1S/C12H10BBrO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,15-16H

InChIKey

PSUVCIKSLIDCJH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1451393-47-7

CID: 74892426

Formula: C12H10BBrO3

MW: 292.92

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	292.92
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	291.99064
Monoisotopic Mass	291.99064
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	224
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
OR1011127-01	4- (4-Bromophenoxy) Benzoic Acid
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OR1053381-01	5- (4-Bromophenoxy) pentanoic acid
OR962585-01	3- (4-Bromophenoxy) propanoic acid
OR1051978-01	4- (4-Methylthiophenyl) phenylboronic acid
OR360907-01	4- (4'-Chlorobenzyloxy) phenylboronic acid
PC412207-01	4- (4-Fluorophenoxy) phenylboronic acid
PC430510	4- (4'-Fluorobenzyloxy) phenylboronic acid
OR360281	4- (4'-Isopropoxyphenyl) phenylboronic acid
OR1001856-01	4- (4-Chlorophenoxy) phenylboronic acid

Catalog	Name
FE22888-01	4- (Ethoxycarbonyl) phenylboronic acid
LRA22967	4- (Cyclopropylmethoxy) phenylboronic acid
HY-77642-01	4- (Methylsulfonyl) phenylboronic acid
433406-01	(4-Propoxycarbonyl) phenylboronic acid
432942-01	(4-Methanesulfonylaminomethyl) phenylboronic acid
429586-01	4- (Isopropoxycarbonylamino) phenylboronic Acid
429584-01	4- (Isopentylthio) phenylboronic acid
429583-01	4- (Isopentylsulfonyl) phenylboronic acid
429548-01	4- (Ethylsulfonamido) phenylboronic Acid
429526-01	4- (Diphenylamino) phenylboronic acid