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

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

CAS: 959589-03-8

Formula: C9H10BBrO2

SMILES: BrC1=CC=CC=C1B1OCCCO1

IUPAC: 2-(2-bromophenyl)-1,3,2-dioxaborinane

InChI: InChI=1S/C9H10BBrO2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5H,3,6-7H2

Composition: C (44.87%), H (4.18%), B (4.49%), Br (33.17%), O (13.28%)

Molar Mass: 240.89

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 239.995723
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IIYCIXHQPWYPMA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.09
Topological Polar Surface Area 18.46
Polarizability 21.25
Ring Count 2
Rotatable Bond Count 1

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