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2-bromo-5-nitrophenol

2-bromo-5-nitrophenol

CAS: 52427-05-1

Formula: C6H4BrNO3

SMILES: OC1=C(Br)C=CC(=C1)[N+]([O-])=O

IUPAC: 2-bromo-5-nitrophenol

InChI: InChI=1S/C6H4BrNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H

Composition: C (33.06%), H (1.85%), Br (36.65%), N (6.43%), O (22.02%)

Molar Mass: 218.006

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.937456
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KNJNITQHVLIWBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.98
Topological Polar Surface Area 63.37
Polarizability 15.92
Ring Count 1
Rotatable Bond Count 1

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