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7-bromo-1,2,3-benzothiadiazole

7-bromo-1,2,3-benzothiadiazole

CAS: 31860-03-4

Formula: C6H3BrN2S

SMILES: BrC1=C2SN=NC2=CC=C1

IUPAC: 7-bromo-1,2,3-benzothiadiazole

InChI: InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)10-9-8-5/h1-3H

Composition: C (33.51%), H (1.41%), Br (37.15%), N (13.03%), S (14.91%)

Molar Mass: 215.07

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 213.920032
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XACDEEWYFGMTMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.84
Topological Polar Surface Area 25.78
Polarizability 17.63
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 31860-03-4 $317.77-$1,446.37$317.77$606.54$1,446.37
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