2-iodo-1-methyl-3-nitrobenzene

2-iodo-1-methyl-3-nitrobenzene

CAS: 6277-17-4

Formula: C7H6INO2

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

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

InChI: InChI=1S/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3

Composition: C (31.96%), H (2.30%), I (48.25%), N (5.33%), O (12.16%)

Molar Mass: 263.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.94432
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AKYPSJARSQSCHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.78
Topological Polar Surface Area	43.14
Polarizability	19.3
Ring Count	1
Rotatable Bond Count	1

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