3-nitro-N-octadecylbenzamide

3-nitro-N-octadecylbenzamide

CAS: 109799-65-7

Formula: C25H42N2O3

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

IUPAC: 3-nitro-N-octadecylbenzamide

InChI: InChI=1S/C25H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-25(28)23-19-18-20-24(22-23)27(29)30/h18-20,22H,2-17,21H2,1H3,(H,26,28)

Composition: C (71.73%), H (10.11%), N (6.69%), O (11.47%)

Molar Mass: 418.622

Atom Count: 72

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	418.31954322
Formal Charge	0
FSP3	0.72
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MBGMGVISROGRGY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.64
Topological Polar Surface Area	72.24
Polarizability	48.16
Ring Count	1
Rotatable Bond Count	19

Suppliers

Frinton Laboratories, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<10 Days	109799-65-7		$49.50$49.50

Light yellow flakes