Text Search
Structure Search

5-(3-bromophenyl)pyrazine-2,3-dicarboxylic acid

5-(3-bromophenyl)pyrazine-2,3-dicarboxylic acid

Formula: C12H7BrN2O4

SMILES: OC(=O)C1=C(N=C(C=N1)C1=CC(Br)=CC=C1)C(O)=O

IUPAC: 5-(3-bromophenyl)pyrazine-2,3-dicarboxylic acid

InChI: InChI=1S/C12H7BrN2O4/c13-7-3-1-2-6(4-7)8-5-14-9(11(16)17)10(15-8)12(18)19/h1-5H,(H,16,17)(H,18,19)

Composition: C (44.61%), H (2.18%), Br (24.73%), N (8.67%), O (19.81%)

Molar Mass: 323.102

Atom Count: 26

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 321.95892
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey KLBAHSNTSXLUIH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.9
Topological Polar Surface Area 100.38
Polarizability 27.1
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C12H7BrN2O4 $192.78-$289.17$192.78$289.17
Request Quote