3-bromo-5-nitrophenol

3-bromo-5-nitrophenol

CAS: 116632-23-6

Formula: C6H4BrNO3

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

IUPAC: 3-bromo-5-nitrophenol

InChI: InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/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	VJQGLUHOAIZTNK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.98
Topological Polar Surface Area	63.37
Polarizability	15.91
Ring Count	1
Rotatable Bond Count	1

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