5-chloro-2-iodobenzonitrile

5-chloro-2-iodobenzonitrile

CAS: 549547-88-8

Formula: C7H3ClIN

SMILES: ClC1=CC=C(I)C(=C1)C#N

IUPAC: 5-chloro-2-iodobenzonitrile

InChI: InChI=1S/C7H3ClIN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

Composition: C (31.91%), H (1.15%), Cl (13.46%), I (48.17%), N (5.32%)

Molar Mass: 263.46

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.89987
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JNVZEQIFNGDCMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.95
Topological Polar Surface Area	23.79
Polarizability	19.31
Ring Count	1
Rotatable Bond Count	0

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