2-amino-5-chloro-3-iodobenzonitrile

2-amino-5-chloro-3-iodobenzonitrile

CAS: 1000577-48-9

Formula: C7H4ClIN2

SMILES: NC1=C(I)C=C(Cl)C=C1C#N

IUPAC: 2-amino-5-chloro-3-iodobenzonitrile

InChI: InChI=1S/C7H4ClIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2

Composition: C (30.19%), H (1.45%), Cl (12.73%), I (45.57%), N (10.06%)

Molar Mass: 278.48

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.91077
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NPZRUCKIIXISQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.65
Topological Polar Surface Area	49.81
Polarizability	20.48
Ring Count	1
Rotatable Bond Count	0

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