2- (4-bromophenyl) -1,3,2-dioxaborinane

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CAS Number

54947-91-0

Smiles

C1cc (ccc1B1OCCCO1) Br

Chemical Information

2-(4-Bromophenyl)-1,3,2-dioxaborinane

CAS Number	54947-91-0
PubChem CID	21708194
IUPAC Name	2-(4-bromophenyl)-1,3,2-dioxaborinane
Molecular Formula	C9H10BBrO2
Molecular Weight	240.89
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	154

SMILES

B1(OCCCO1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C9H10BBrO2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5H,1,6-7H2

InChIKey

KAKFFDDDUYNOTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54947-91-0

CID: 21708194

Formula: C9H10BBrO2

MW: 240.89

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.89
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	239.99572
Monoisotopic Mass	239.99572
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	154
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
OR1062360-01	2- (2-Bromophenyl) -1,3,2-dioxaborinane
OR310866	2- (4-Bromophenyl) -4,4,6-trimethyl-1,3,2-dioxaborinane
OR310880-01	2- (4-Bromophenyl) -5,5-dimethyl-1,3,2-dioxaborinane
OR1062717-01	2- (4-Methoxyphenyl) -1,3,2-dioxaborinane
OR1062689-01	2- (4-Nitrophenyl) -1,3,2-dioxaborinane
PC1005704-01	2- (4-Fluorophenyl) -1,3,2-dioxaborinane
OR1063823-01	2- (4-Phenoxyphenyl) -1,3,2-dioxaborinane
OR361163-01	2- (3,4-Dimethylphenyl) -1,3,2-dioxaborinane
OR1101373-01	4,4,6-Trimethyl-1,3,2-Dioxaborinane
PC1005675-01	2- (4- (Trifluoromethyl) phenyl) -1,3,2-dioxaborinane

Catalog	Name
sc-305333	2- (3,4-Dimethylphenyl) -1,3,2-dioxaborinane
23894-82-8-01	4,4,6-Trimethyl-1,3,2-dioxaborinane
sc-480882	2- (3-Methylphenyl) -4,4,6-trimethyl-1,3,2-dioxaborinane
418476-01	2-Isopropoxy-4, 4, 6-trimethyl-1, 3, 2-dioxaborinane
sc-230439	2-Isopropoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
sc-481822	4,4,6-Trimethyl-2-phenyl-1,3,2-dioxaborinane
sc-238112	2-Methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
sc-480892	2- (4-Iodophenyl) -4,4,6-trimethyl-1,3,2-dioxaborinane
sc-480889	2- (4-Methylphenyl) -4,4,6-trimethyl-1,3,2-dioxaborinane
sc-481824	2- (4-Methoxyphenyl) -4,4,6-trimethyl-1,3,2-dioxaborinane