Text Search
Structure Search

3-bromo-6-methyl-5-nitro-1H-indazole

3-bromo-6-methyl-5-nitro-1H-indazole

CAS: 1000343-58-7

Formula: C8H6BrN3O2

SMILES: CC1=C(C=C2C(Br)=NNC2=C1)[N+]([O-])=O

IUPAC: 3-bromo-6-methyl-5-nitro-1H-indazole

InChI: InChI=1S/C8H6BrN3O2/c1-4-2-6-5(8(9)11-10-6)3-7(4)12(13)14/h2-3H,1H3,(H,10,11)

Composition: C (37.53%), H (2.36%), Br (31.21%), N (16.41%), O (12.50%)

Molar Mass: 256.059

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.964339
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GIOGUISZUYCHAK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.9
Topological Polar Surface Area 71.82
Polarizability 21.22
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Key Organics Ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1000343-58-7 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1000343-58-7 $542.80$542.80
Request Quote