3-bromo-6-chloropyrazine-2-carboxylic acid

3-bromo-6-chloropyrazine-2-carboxylic acid

CAS: 1260773-60-1

Formula: C5H2BrClN2O2

SMILES: OC(=O)C1=NC(Cl)=CN=C1Br

IUPAC: 3-bromo-6-chloropyrazine-2-carboxylic acid

InChI: InChI=1S/C5H2BrClN2O2/c6-4-3(5(10)11)9-2(7)1-8-4/h1H,(H,10,11)

Composition: C (25.29%), H (0.85%), Br (33.65%), Cl (14.93%), N (11.80%), O (13.48%)

Molar Mass: 237.44

Atom Count: 13

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.898818
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AFCNZNOFVBISIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.96
Topological Polar Surface Area	63.08
Polarizability	16.21
Ring Count	1
Rotatable Bond Count	1

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