1-methoxy-4-nitro-2-(prop-2-yn-1-yloxy)benzene

1-methoxy-4-nitro-2-(prop-2-yn-1-yloxy)benzene

CAS: 89228-66-0

Formula: C10H9NO4

SMILES: COC1=C(OCC#C)C=C(C=C1)[N+]([O-])=O

IUPAC: 1-methoxy-4-nitro-2-(prop-2-yn-1-yloxy)benzene

InChI: InChI=1S/C10H9NO4/c1-3-6-15-10-7-8(11(12)13)4-5-9(10)14-2/h1,4-5,7H,6H2,2H3

Composition: C (57.97%), H (4.38%), N (6.76%), O (30.89%)

Molar Mass: 207.185

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.053157774
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NOQXZRFEQHNLDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.89
Topological Polar Surface Area	61.6
Polarizability	19.87
Ring Count	1
Rotatable Bond Count	4

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90%	<2 Days	89228-66-0		$51.35-$524.40$51.35$63.37$86.31$524.40