2-methyl-4-nitrobenzamide

2-methyl-4-nitrobenzamide

CAS: 99584-16-4

Formula: C8H8N2O3

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

IUPAC: 2-methyl-4-nitrobenzamide

InChI: InChI=1S/C8H8N2O3/c1-5-4-6(10(12)13)2-3-7(5)8(9)11/h2-4H,1H3,(H2,9,11)

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	PVKLVGVLMCIHII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.5
Topological Polar Surface Area	86.23
Polarizability	16.86
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	99584-16-4		$600.00$600.00