methyl 3-iodo-4-methoxybenzoate

methyl 3-iodo-4-methoxybenzoate

CAS: 35387-93-0

Formula: C9H9IO3

SMILES: COC(=O)C1=CC=C(OC)C(I)=C1

IUPAC: methyl 3-iodo-4-methoxybenzoate

InChI: InChI=1S/C9H9IO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3

Composition: C (37.01%), H (3.11%), I (43.45%), O (16.43%)

Molar Mass: 292.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.95964
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GHNGBFHLUOJHKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.91
Topological Polar Surface Area	35.53
Polarizability	22.56
Ring Count	1
Rotatable Bond Count	3

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