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methyl 2-amino-6-bromopyridine-3-carboxylate

methyl 2-amino-6-bromopyridine-3-carboxylate

CAS: 1227048-73-8

Formula: C7H7BrN2O2

SMILES: COC(=O)C1=CC=C(Br)N=C1N

IUPAC: methyl 2-amino-6-bromopyridine-3-carboxylate

InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3,(H2,9,10)

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 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JZENREVYAXXYQR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.41
Topological Polar Surface Area 65.21
Polarizability 18.06
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1227048-73-8 $102.14-$1,479.15$102.14$163.93$283.73$438.83$1,479.15
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