methyl 3-hydroxy-4-iodobenzoate

methyl 3-hydroxy-4-iodobenzoate

CAS: 157942-12-6

Formula: C8H7IO3

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

IUPAC: methyl 3-hydroxy-4-iodobenzoate

InChI: InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3

Composition: C (34.56%), H (2.54%), I (45.64%), O (17.26%)

Molar Mass: 278.045

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.94399
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LXCQVWRESZDFGW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.43
Topological Polar Surface Area	46.53
Polarizability	20.7
Ring Count	1
Rotatable Bond Count	2

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