1,2-dimethyl-4-nitrobenzene

1,2-dimethyl-4-nitrobenzene

CAS: 99-51-4

Formula: C8H9NO2

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

IUPAC: 1,2-dimethyl-4-nitrobenzene

InChI: InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3

Composition: C (63.56%), H (6.00%), N (9.27%), O (21.17%)

Molar Mass: 151.165

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.063328534
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HFZKOYWDLDYELC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.46
Topological Polar Surface Area	43.14
Polarizability	15.72
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	99-51-4		Quote Only