methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate

methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate

Formula: C13H14N2O7

SMILES: CCOC(=O)CNC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O

IUPAC: methyl 3-[(2-ethoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate

InChI: InChI=1S/C13H14N2O7/c1-3-22-11(16)7-14-12(17)8-4-9(13(18)21-2)6-10(5-8)15(19)20/h4-6H,3,7H2,1-2H3,(H,14,17)

Composition: C (50.33%), H (4.55%), N (9.03%), O (36.10%)

Molar Mass: 310.262

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	310.080100799
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LLOWHSOHSHULDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.98
Topological Polar Surface Area	124.84
Polarizability	27.82
Ring Count	1
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H14N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00