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4-bromo-6-fluoro-1H-1,3-benzodiazole

4-bromo-6-fluoro-1H-1,3-benzodiazole

CAS: 1245642-98-1

Formula: C7H4BrFN2

SMILES: FC1=CC(Br)=C2N=CNC2=C1

IUPAC: 4-bromo-6-fluoro-1H-1,3-benzodiazole

InChI: InChI=1S/C7H4BrFN2/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H,(H,10,11)

Composition: C (39.10%), H (1.88%), Br (37.16%), F (8.84%), N (13.03%)

Molar Mass: 215.025

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 213.954189
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MGODHAPVAQOGMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.81
Topological Polar Surface Area 28.68
Polarizability 17.19
Ring Count 2
Rotatable Bond Count 0

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90% <2 Days 1245642-98-1 $51.35-$86.31$51.35$63.37$86.31
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