2-iodo-4-methylbenzaldehyde

2-iodo-4-methylbenzaldehyde

CAS: 126156-28-3

Formula: C8H7IO

SMILES: CC1=CC(I)=C(C=O)C=C1

IUPAC: 2-iodo-4-methylbenzaldehyde

InChI: InChI=1S/C8H7IO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3

Composition: C (39.05%), H (2.87%), I (51.58%), O (6.50%)

Molar Mass: 246.047

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.95416
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FQCOIEKPCNEVDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.05
Topological Polar Surface Area	17.07
Polarizability	19.15
Ring Count	1
Rotatable Bond Count	1

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