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5-bromo-3-methyl-2-nitropyridine

5-bromo-3-methyl-2-nitropyridine

CAS: 114042-02-3

Formula: C6H5BrN2O2

SMILES: CC1=CC(Br)=CN=C1[N+]([O-])=O

IUPAC: 5-bromo-3-methyl-2-nitropyridine

InChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(7)3-8-6(4)9(10)11/h2-3H,1H3

Composition: C (33.21%), H (2.32%), Br (36.82%), N (12.91%), O (14.74%)

Molar Mass: 217.022

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.95344
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VKFNGESSJFKZEK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.2
Topological Polar Surface Area 56.03
Polarizability 16.15
Ring Count 1
Rotatable Bond Count 1

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