methyl 2-(cyclohexylamino)-5-nitrobenzoate

methyl 2-(cyclohexylamino)-5-nitrobenzoate

CAS: 83909-56-2

Formula: C14H18N2O4

SMILES: COC(=O)C1=C(NC2CCCCC2)C=CC(=C1)[N+]([O-])=O

IUPAC: methyl 2-(cyclohexylamino)-5-nitrobenzoate

InChI: InChI=1S/C14H18N2O4/c1-20-14(17)12-9-11(16(18)19)7-8-13(12)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 278.308

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.126657068
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NHNFUZCKCYJLCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.61
Topological Polar Surface Area	81.47
Polarizability	28.11
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	83909-56-2		$51.35-$120.18$51.35$63.37$75.38$86.31$120.18