methyl 4-iodo-1-benzothiophene-2-carboxylate

methyl 4-iodo-1-benzothiophene-2-carboxylate

CAS: 146137-85-1

Formula: C10H7IO2S

SMILES: COC(=O)C1=CC2=C(I)C=CC=C2S1

IUPAC: methyl 4-iodo-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C10H7IO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3

Composition: C (37.76%), H (2.22%), I (39.89%), O (10.06%), S (10.08%)

Molar Mass: 318.13

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	317.92115
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	UGNPKTSBZTYSKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.57
Topological Polar Surface Area	26.3
Polarizability	26.08
Ring Count	2
Rotatable Bond Count	2

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