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2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane

2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane

CAS: 223799-25-5

Formula: C12H16BBrO2

SMILES: CC1(C)COB(OC1)C1=CC(CBr)=CC=C1

IUPAC: 2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane

InChI: InChI=1S/C12H16BBrO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,7-9H2,1-2H3

Composition: C (50.94%), H (5.70%), B (3.82%), Br (28.24%), O (11.31%)

Molar Mass: 282.97

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 282.042673
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YMHOSDXBNPFLLT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.07
Topological Polar Surface Area 18.46
Polarizability 26.63
Ring Count 2
Rotatable Bond Count 2

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