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5-(2-bromo-6-fluorophenyl)-2H-1,2,3,4-tetrazole

5-(2-bromo-6-fluorophenyl)-2H-1,2,3,4-tetrazole

CAS: 1598353-32-2

Formula: C7H4BrFN4

SMILES: FC1=CC=CC(Br)=C1C1=NNN=N1

IUPAC: 5-(2-bromo-6-fluorophenyl)-2H-1,2,3,4-tetrazole

InChI: InChI=1S/C7H4BrFN4/c8-4-2-1-3-5(9)6(4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)

Composition: C (34.59%), H (1.66%), Br (32.88%), F (7.82%), N (23.05%)

Molar Mass: 243.039

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.960337
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HDDNFEQBESRDTG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.26
Topological Polar Surface Area 54.46
Polarizability 18.39
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1598353-32-2 $1,147.70-$4,597.70$1,147.70$4,597.70
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