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5-bromo-3-nitrobenzene-1,2-diol

5-bromo-3-nitrobenzene-1,2-diol

CAS: 671779-99-0

Formula: C6H4BrNO4

SMILES: OC1=CC(Br)=CC(=C1O)[N+]([O-])=O

IUPAC: 5-bromo-3-nitrobenzene-1,2-diol

InChI: InChI=1S/C6H4BrNO4/c7-3-1-4(8(11)12)6(10)5(9)2-3/h1-2,9-10H

Composition: C (30.80%), H (1.72%), Br (34.15%), N (5.99%), O (27.35%)

Molar Mass: 234.005

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 232.932371
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZBOWHKUCFSOWHK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.96
Topological Polar Surface Area 83.6
Polarizability 16.64
Ring Count 1
Rotatable Bond Count 1

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