methyl 2-(2-bromo-5-nitrophenyl)acetate

methyl 2-(2-bromo-5-nitrophenyl)acetate

Formula: C9H8BrNO4

SMILES: COC(=O)CC1=C(Br)C=CC(=C1)[N+]([O-])=O

IUPAC: methyl 2-(2-bromo-5-nitrophenyl)acetate

InChI: InChI=1S/C9H8BrNO4/c1-15-9(12)5-6-4-7(11(13)14)2-3-8(6)10/h2-4H,5H2,1H3

Composition: C (39.44%), H (2.94%), Br (29.15%), N (5.11%), O (23.35%)

Molar Mass: 274.07

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.963671
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GYGZNFZMPAFWMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.08
Topological Polar Surface Area	69.44
Polarizability	21.55
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H8BrNO4		Quote Only