2-(chloromethyl)-4-methyl-1-nitrobenzene

2-(chloromethyl)-4-methyl-1-nitrobenzene

CAS: 66424-91-7

Formula: C8H8ClNO2

SMILES: CC1=CC=C(C(CCl)=C1)[N+]([O-])=O

IUPAC: 2-(chloromethyl)-4-methyl-1-nitrobenzene

InChI: InChI=1S/C8H8ClNO2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,5H2,1H3

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BWPZDLVOJNBEKI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.29
Topological Polar Surface Area	43.14
Polarizability	17.66
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	66424-91-7		$43.47-$86.94$43.47$78.66$86.94