ethyl 2-(5-bromopyrimidin-4-yl)acetate

ethyl 2-(5-bromopyrimidin-4-yl)acetate

CAS: 185030-22-2

Formula: C8H9BrN2O2

SMILES: CCOC(=O)CC1=NC=NC=C1Br

IUPAC: ethyl 2-(5-bromopyrimidin-4-yl)acetate

InChI: InChI=1S/C8H9BrN2O2/c1-2-13-8(12)3-7-6(9)4-10-5-11-7/h4-5H,2-3H2,1H3

Composition: C (39.21%), H (3.70%), Br (32.60%), N (11.43%), O (13.06%)

Molar Mass: 245.076

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.984741
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CIBIEVCWIOPJMU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.8
Topological Polar Surface Area	52.08
Polarizability	19.67
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	185030-22-2		$78.18-$374.52$78.18$139.97$374.52