ethyl 2-(3-nitrobenzoyl)benzoate

ethyl 2-(3-nitrobenzoyl)benzoate

CAS: 890098-28-9

Formula: C16H13NO5

SMILES: CCOC(=O)C1=CC=CC=C1C(=O)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: ethyl 2-(3-nitrobenzoyl)benzoate

InChI: InChI=1S/C16H13NO5/c1-2-22-16(19)14-9-4-3-8-13(14)15(18)11-6-5-7-12(10-11)17(20)21/h3-10H,2H2,1H3

Composition: C (64.21%), H (4.38%), N (4.68%), O (26.73%)

Molar Mass: 299.282

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.079372523
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WMSZMJXCZHWMQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.73
Topological Polar Surface Area	86.51
Polarizability	30.13
Ring Count	2
Rotatable Bond Count	6

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