1-chloro-2-(methoxymethyl)-4-nitrobenzene

1-chloro-2-(methoxymethyl)-4-nitrobenzene

CAS: 101513-52-4

Formula: C8H8ClNO3

SMILES: COCC1=CC(=CC=C1Cl)[N+]([O-])=O

IUPAC: 1-chloro-2-(methoxymethyl)-4-nitrobenzene

InChI: InChI=1S/C8H8ClNO3/c1-13-5-6-4-7(10(11)12)2-3-8(6)9/h2-4H,5H2,1H3

Composition: C (47.66%), H (4.00%), Cl (17.58%), N (6.95%), O (23.81%)

Molar Mass: 201.61

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.0192708
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DFVKPXXXKCFXAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.75
Topological Polar Surface Area	52.37
Polarizability	18.53
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	101513-52-4		$7,487.82$7,487.82