2-bromo-1-fluoro-3-nitrobenzene

2-bromo-1-fluoro-3-nitrobenzene

CAS: 59255-94-6

Formula: C6H3BrFNO2

SMILES: [O-][N+](=O)C1=CC=CC(F)=C1Br

IUPAC: 2-bromo-1-fluoro-3-nitrobenzene

InChI: InChI=1S/C6H3BrFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H

Composition: C (32.76%), H (1.37%), Br (36.32%), F (8.64%), N (6.37%), O (14.54%)

Molar Mass: 219.997

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.93312
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ICIVWQQTOYDXDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.22
Topological Polar Surface Area	43.14
Polarizability	15.12
Ring Count	1
Rotatable Bond Count	1

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