4-iodo-3,5-dimethylbenzonitrile

4-iodo-3,5-dimethylbenzonitrile

CAS: 1227311-09-2

Formula: C9H8IN

SMILES: CC1=CC(=CC(C)=C1I)C#N

IUPAC: 4-iodo-3,5-dimethylbenzonitrile

InChI: InChI=1S/C9H8IN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3

Composition: C (42.05%), H (3.14%), I (49.36%), N (5.45%)

Molar Mass: 257.074

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.97014
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XDEZDJRLICNWND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.22
Topological Polar Surface Area	23.79
Polarizability	20.79
Ring Count	1
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99.69%	<7 Days	1227311-09-2		$9.35-$122.49$9.35$12.16$122.49

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1227311-09-2		$12.42-$142.83$12.42$17.60$41.40$142.83

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	1227311-09-2		$993.60$993.60

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	1227311-09-2		$1,215.00$1,215.00