Text Search
Structure Search

({4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)triethylazanium bromide

({4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)triethylazanium bromide

CAS: 859205-90-6

Formula: C13H20BrClN4

SMILES: [Br-].CC[N+](CC)(CC)CC1=C2N(C=C1)N=CN=C2Cl

IUPAC: ({4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)triethylazanium bromide

InChI: InChI=1S/C13H20ClN4.BrH/c1-4-18(5-2,6-3)9-11-7-8-17-12(11)13(14)15-10-16-17;/h7-8,10H,4-6,9H2,1-3H3;1H/q+1;/p-1

Composition: C (44.91%), H (5.80%), Br (22.98%), Cl (10.20%), N (16.11%)

Molar Mass: 347.69

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 346.055987
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IKUIKOFBBHCFRH-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 99.37
Topological Polar Surface Area 30.19
Polarizability 29.36
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 859205-90-6 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
Request Quote