1-chloro-2-methoxy-3-nitrobenzene

1-chloro-2-methoxy-3-nitrobenzene

CAS: 80866-77-9

Formula: C7H6ClNO3

SMILES: COC1=C(Cl)C=CC=C1[N+]([O-])=O

IUPAC: 1-chloro-2-methoxy-3-nitrobenzene

InChI: InChI=1S/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3

Composition: C (44.82%), H (3.22%), Cl (18.90%), N (7.47%), O (25.59%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.0036208
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MSBUQNLLSANFDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.65
Topological Polar Surface Area	52.37
Polarizability	16.72
Ring Count	1
Rotatable Bond Count	2

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97%	<7 Days	80866-77-9		$5.18-$44.51$5.18$11.39$21.74$44.51