1-bromo-2-fluoro-3-methyl-5-nitrobenzene

1-bromo-2-fluoro-3-methyl-5-nitrobenzene

CAS: 175610-68-1

Formula: C7H5BrFNO2

SMILES: CC1=CC(=CC(Br)=C1F)[N+]([O-])=O

IUPAC: 1-bromo-2-fluoro-3-methyl-5-nitrobenzene

InChI: InChI=1S/C7H5BrFNO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3

Composition: C (35.93%), H (2.15%), Br (34.14%), F (8.12%), N (5.99%), O (13.67%)

Molar Mass: 234.024

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.94877
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XDCQFNXIWGZLMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.26
Topological Polar Surface Area	43.14
Polarizability	16.82
Ring Count	1
Rotatable Bond Count	1

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