2-iodo-1,5-dimethyl-3-nitrobenzene

2-iodo-1,5-dimethyl-3-nitrobenzene

CAS: 593255-20-0

Formula: C8H8INO2

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

IUPAC: 2-iodo-1,5-dimethyl-3-nitrobenzene

InChI: InChI=1S/C8H8INO2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,1-2H3

Composition: C (34.68%), H (2.91%), I (45.80%), N (5.06%), O (11.55%)

Molar Mass: 277.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.95997
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IHFAHQKEKVTXOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.82
Topological Polar Surface Area	43.14
Polarizability	21.02
Ring Count	1
Rotatable Bond Count	1

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