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3-iodo-2-methylbenzaldehyde

3-iodo-2-methylbenzaldehyde

Formula: C8H7IO

SMILES: CC1=C(C=O)C=CC=C1I

IUPAC: 3-iodo-2-methylbenzaldehyde

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