ethyl 2-(5-bromo-3-nitropyridin-2-yl)acetate

ethyl 2-(5-bromo-3-nitropyridin-2-yl)acetate

CAS: 1211540-74-7

Formula: C9H9BrN2O4

SMILES: CCOC(=O)CC1=NC=C(Br)C=C1[N+]([O-])=O

IUPAC: ethyl 2-(5-bromo-3-nitropyridin-2-yl)acetate

InChI: InChI=1S/C9H9BrN2O4/c1-2-16-9(13)4-7-8(12(14)15)3-6(10)5-11-7/h3,5H,2,4H2,1H3

Composition: C (37.39%), H (3.14%), Br (27.64%), N (9.69%), O (22.14%)

Molar Mass: 289.085

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.97457
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZHLUABBQKYUDCW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.3
Topological Polar Surface Area	82.33
Polarizability	22.56
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1211540-74-7		$27.74-$136.19$27.74$42.87$136.19