2-[4-(bromomethyl)phenyl]-5-methyl-5-nitro-1,3,2-dioxaborinane

Systemtic Name: 2-[4-(bromomethyl)phenyl]-5-methyl-5-nitro-1,3,2-dioxaborinane Openeye Name: 2-[4-(bromomethyl)phenyl]-5-methyl-5-nitro-1,3,2-dioxaborinane CAS Name: 2-[4-(bromomethyl)phenyl]-5-methyl-5-nitro-1,3,2-dioxaborinane IUPAC Name: 2-[4-(bromomethyl)phenyl]-5-methyl-5-nitro-1,3,2-dioxaborinane Traditional Name: 2-[4-(bromomethyl)phenyl]-5-methyl-5-nitro-1,3,2-dioxaborinane Formula: C11H13BBrNO4 MolecularWeight: 313.94022

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)[N+](=O)[O-])C2=CC=C(C=C2)CBr

Isomeric SMILES

B1(OCC(CO1)(C)[N+](=O)[O-])C2=CC=C(C=C2)CBr

InChI

InChI=1S/C11H13BBrNO4/c1-11(14(15)16)7-17-12(18-8-11)10-4-2-9(6-13)3-5-10/h2-5H,6-8H2,1H3