2-(4-formyl-2-iodo-6-methoxyphenoxy)acetonitrile

2-(4-formyl-2-iodo-6-methoxyphenoxy)acetonitrile

CAS: 832674-41-6

Formula: C10H8INO3

SMILES: COC1=CC(C=O)=CC(I)=C1OCC#N

IUPAC: 2-(4-formyl-2-iodo-6-methoxyphenoxy)acetonitrile

InChI: InChI=1S/C10H8INO3/c1-14-9-5-7(6-13)4-8(11)10(9)15-3-2-12/h4-6H,3H2,1H3

Composition: C (37.88%), H (2.54%), I (40.02%), N (4.42%), O (15.14%)

Molar Mass: 317.082

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	316.95489
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IDYGCTYLQAKIOH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.99
Topological Polar Surface Area	59.32
Polarizability	24.3
Ring Count	1
Rotatable Bond Count	4

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