3-Bromo-2,5-dichlorophenylboronic acid

CAT: 0127-OR1097509Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

2121513-17-3

MDL Number

MFCD31382567

Smiles

C1 (cc (cc (c1Cl) B (O) O) Cl) Br

Chemical Information

3-Bromo-2,5-dichlorophenylboronic acid

CAS Number	2121513-17-3
PubChem CID	134715603
IUPAC Name	(3-bromo-2,5-dichlorophenyl)boronic acid
Molecular Formula	C6H4BBrCl2O2
Molecular Weight	269.71
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

B(C1=CC(=CC(=C1Cl)Br)Cl)(O)O

InChI

InChI=1S/C6H4BBrCl2O2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,11-12H

InChIKey

UBPASQAXQSYNRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2121513-17-3

CID: 134715603

Formula: C6H4BBrCl2O2

MW: 269.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.71
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	267.88648
Monoisotopic Mass	267.88648
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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
OR1099179	3-Bromo-2,6-dichlorophenylboronic acid
OR1087409	6-Bromo-2,4-dichlorophenylboronic acid
OR1097501	6-Bromo-2,3-dichlorophenylboronic acid pinacol ester
OR360473	4-Butoxy-3,5-dichlorophenylboronic acid
OR360371	5-Amino-2,4-dichlorophenylboronic acid
OR360529	5-Butoxy-2,4-dichlorophenylboronic acid
OR1087406	5-Carboxy-2,4-dichlorophenylboronic acid
OR360527	5- (Benzyloxy) -2,4-dichlorophenylboronic acid
OR360685	3- (Benzyloxy) -2,4-dichlorophenylboronic acid
OR360458	4- (tert-Butyldimethylsilyloxy) -3,5-dichlorophenylboronic acid

Catalog	Name
TRC-D436550-5G	2,5-Dichlorophenylboronic Acid
HY-32898-01	3,5-Dichlorophenylboronic acid
419637-01	2,3-Dichlorophenylboronic Acid
434558-01	5- (Benzyloxy) -2,4-dichlorophenylboronic acid
431338-01	4-Butoxy-3,5-dichlorophenylboronic acid
429365-01	4- (Benzyloxy) -3,5-dichlorophenylboronic Acid
427345-01	3,5-Dichlorophenylboronic acid, pinacol ester
435913-01	5-Butoxy-2,4-dichlorophenylboronic acid
434897-01	5-Amino-2,4-dichlorophenylboronic acid
sc-226226	3,4-Dichlorophenylboronic acid