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methyl 6-bromo-5-methylpyridazine-3-carboxylate

methyl 6-bromo-5-methylpyridazine-3-carboxylate

CAS: 2135332-83-9

Formula: C7H7BrN2O2

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

IUPAC: methyl 6-bromo-5-methylpyridazine-3-carboxylate

InChI: InChI=1S/C7H7BrN2O2/c1-4-3-5(7(11)12-2)9-10-6(4)8/h3H,1-2H3

Composition: C (36.39%), H (3.05%), Br (34.58%), N (12.12%), O (13.85%)

Molar Mass: 231.049

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.96909
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KTBAZPKIYVZGQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.92
Topological Polar Surface Area 52.08
Polarizability 17.84
Ring Count 1
Rotatable Bond Count 2

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