4-iodo-3-methylbenzonitrile

4-iodo-3-methylbenzonitrile

CAS: 42872-85-5

Formula: C8H6IN

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

IUPAC: 4-iodo-3-methylbenzonitrile

InChI: InChI=1S/C8H6IN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3

Composition: C (39.53%), H (2.49%), I (52.21%), N (5.76%)

Molar Mass: 243.047

Atom Count: 16

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.95449
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HLTCSOXVOUXEJH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.18
Topological Polar Surface Area	23.79
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	0

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	42872-85-5		$17.25-$142.60$17.25$41.40$142.60

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<7 Days	42872-85-5		$14.49-$666.54$14.49$18.63$42.44$166.64$298.08$666.54

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	42872-85-5		$554.00$554.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	42872-85-5		$22.70-$185.37$22.70$54.22$185.37