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ethyl 2-[(5-bromopyrimidin-2-yl)amino]acetate

ethyl 2-[(5-bromopyrimidin-2-yl)amino]acetate

CAS: 1159823-83-2

Formula: C8H10BrN3O2

SMILES: CCOC(=O)CNC1=NC=C(Br)C=N1

IUPAC: ethyl 2-[(5-bromopyrimidin-2-yl)amino]acetate

InChI: InChI=1S/C8H10BrN3O2/c1-2-14-7(13)5-12-8-10-3-6(9)4-11-8/h3-4H,2,5H2,1H3,(H,10,11,12)

Composition: C (36.94%), H (3.88%), Br (30.72%), N (16.16%), O (12.30%)

Molar Mass: 260.091

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 258.99564
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MSJIEFRRPDPTHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.09
Topological Polar Surface Area 64.11
Polarizability 20.84
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1159823-83-2 $182.85-$621.67$182.85$621.67
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