ethyl 2-hydroxy-3,5-dinitrobenzoate

ethyl 2-hydroxy-3,5-dinitrobenzoate

Formula: C9H8N2O7

SMILES: CCOC(=O)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O

IUPAC: ethyl 2-hydroxy-3,5-dinitrobenzoate

InChI: InChI=1S/C9H8N2O7/c1-2-18-9(13)6-3-5(10(14)15)4-7(8(6)12)11(16)17/h3-4,12H,2H2,1H3

Composition: C (42.20%), H (3.15%), N (10.94%), O (43.72%)

Molar Mass: 256.17

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.033150606
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	FIPUZPDKKLFFRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.45
Topological Polar Surface Area	132.81
Polarizability	21.28
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H8N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00