4-bromo-2-iodo-1-nitrobenzene

4-bromo-2-iodo-1-nitrobenzene

CAS: 343864-78-8

Formula: C6H3BrINO2

SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1I

IUPAC: 4-bromo-2-iodo-1-nitrobenzene

InChI: InChI=1S/C6H3BrINO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

Composition: C (21.98%), H (0.92%), Br (24.37%), I (38.70%), N (4.27%), O (9.76%)

Molar Mass: 327.903

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	326.83919
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VWDMDPDGACOPSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.36
Topological Polar Surface Area	43.14
Polarizability	20.75
Ring Count	1
Rotatable Bond Count	1

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