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

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

CAS: 85107-43-3

Formula: C9H10BNO4

SMILES: [O-][N+](=O)C1=CC=C(C=C1)B1OCCCO1

IUPAC: 2-(4-nitrophenyl)-1,3,2-dioxaborinane

InChI: InChI=1S/C9H10BNO4/c12-11(13)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h2-5H,1,6-7H2

Composition: C (52.22%), H (4.87%), B (5.22%), N (6.77%), O (30.92%)

Molar Mass: 206.99

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.070288
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XDVUGAYZMIDGEX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.79
Topological Polar Surface Area 61.6
Polarizability 20.37
Ring Count 2
Rotatable Bond Count 2

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