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2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane

2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane

CAS: 416839-38-8

Formula: C10H10BF3O2

SMILES: FC(F)(F)C1=CC=C(C=C1)B1OCCCO1

IUPAC: 2-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaborinane

InChI: InChI=1S/C10H10BF3O2/c12-10(13,14)8-2-4-9(5-3-8)11-15-6-1-7-16-11/h2-5H,1,6-7H2

Composition: C (52.22%), H (4.38%), B (4.70%), F (24.78%), O (13.91%)

Molar Mass: 229.99

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.072594
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LXWREANRGBTZEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.44
Topological Polar Surface Area 18.46
Polarizability 19.61
Ring Count 2
Rotatable Bond Count 2

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