C1=CC(=C(C(=C1)O)Br)[N+](=O)[O-]
CAS: 101935-40-4
Name: 2-bromo-3-nitrophenol
SMILES: C1=CC(=C(C(=C1)O)Br)[N+](=O)[O-]

Molecular Processing

Molecular formula
C6H4BrNO3
Molecular weight
218.01
Exact mass
216.9375
XLogP
2.06
TPSA
63.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.46

Supplementary Information

InChIKey: HRVRWIBVVHOHNN-UHFFFAOYSA-N
Synonyme
2-bromo-3-nitrophenol101935-40-4DTXSID00429111RefChem:257099DTXCID00379945806-650-9Phenol, 2-bromo-3-nitro-2-bromo-3-nitro-PhenolMFCD087045552-bromo-3 nitrophenol2F4Q3VXG3PSCHEMBL970971HRVRWIBVVHOHNN-UHFFFAOYSA-NCL9192SBB063814AKOS015856265CS-W005430MB06573AC-22664SY020684EN300-103495AN-584/43345399F092739
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