1-ethoxy-3-methyl-2-nitrobenzene

1-ethoxy-3-methyl-2-nitrobenzene

CAS: 342044-61-5

Formula: C9H11NO3

SMILES: CCOC1=CC=CC(C)=C1[N+]([O-])=O

IUPAC: 1-ethoxy-3-methyl-2-nitrobenzene

InChI: InChI=1S/C9H11NO3/c1-3-13-8-6-4-5-7(2)9(8)10(11)12/h4-6H,3H2,1-2H3

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.073893218
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WGFLARGSCSNUAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.63
Topological Polar Surface Area	52.37
Polarizability	18.34
Ring Count	1
Rotatable Bond Count	3

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