N-methyl-3-nitrobenzamide

N-methyl-3-nitrobenzamide

CAS: 3400-26-8

Formula: C8H8N2O3

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

IUPAC: N-methyl-3-nitrobenzamide

InChI: InChI=1S/C8H8N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H3,(H,9,11)

Composition: C (53.33%), H (4.48%), N (15.55%), O (26.64%)

Molar Mass: 180.163

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.053492126
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KKNRKRLMGLMZDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.35
Topological Polar Surface Area	72.24
Polarizability	16.94
Ring Count	1
Rotatable Bond Count	2

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