1-tert-butyl 3-ethyl 2-(5-bromopyrimidin-2-yl)propanedioate

1-tert-butyl 3-ethyl 2-(5-bromopyrimidin-2-yl)propanedioate

Formula: C13H17BrN2O4

SMILES: CCOC(=O)C(C(=O)OC(C)(C)C)C1=NC=C(Br)C=N1

IUPAC: 1-tert-butyl 3-ethyl 2-(5-bromopyrimidin-2-yl)propanedioate

InChI: InChI=1/C13H17BrN2O4/c1-5-19-11(17)9(12(18)20-13(2,3)4)10-15-6-8(14)7-16-10/h6-7,9H,5H2,1-4H3

Composition: C (45.23%), H (4.96%), Br (23.15%), N (8.12%), O (18.54%)

Molar Mass: 345.193

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	344.03717
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KHZLBXOZQBWCGO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.7
Topological Polar Surface Area	78.38
Polarizability	29.64
Ring Count	1
Rotatable Bond Count	7

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	1 Day	C13H17BrN2O4		$238.14-$2,449.44$238.14$408.24$816.48$2,449.44