methyl 3-bromo-6-chloropyrazine-2-carboxylate

methyl 3-bromo-6-chloropyrazine-2-carboxylate

CAS: 13457-28-8

Formula: C6H4BrClN2O2

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

IUPAC: methyl 3-bromo-6-chloropyrazine-2-carboxylate

InChI: InChI=1S/C6H4BrClN2O2/c1-12-6(11)4-5(7)9-2-3(8)10-4/h2H,1H3

Composition: C (28.66%), H (1.60%), Br (31.78%), Cl (14.10%), N (11.14%), O (12.72%)

Molar Mass: 251.46

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.914468
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NJAYXNFNZKQGNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.73
Topological Polar Surface Area	52.08
Polarizability	18.2
Ring Count	1
Rotatable Bond Count	2

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