1-chloro-5-iodo-4-methyl-2-nitrobenzene

1-chloro-5-iodo-4-methyl-2-nitrobenzene

CAS: 83706-53-0

Formula: C7H5ClINO2

SMILES: CC1=CC(=C(Cl)C=C1I)[N+]([O-])=O

IUPAC: 1-chloro-5-iodo-4-methyl-2-nitrobenzene

InChI: InChI=1S/C7H5ClINO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3

Composition: C (28.26%), H (1.69%), Cl (11.92%), I (42.66%), N (4.71%), O (10.76%)

Molar Mass: 297.48

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.90535
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QKCJKTFOGQXDPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.59
Topological Polar Surface Area	43.14
Polarizability	21.32
Ring Count	1
Rotatable Bond Count	1

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