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methyl 2,5-dibromothiophene-3-carboxylate

methyl 2,5-dibromothiophene-3-carboxylate

CAS: 89280-91-1

Formula: C6H4Br2O2S

SMILES: COC(=O)C1=C(Br)SC(Br)=C1

IUPAC: methyl 2,5-dibromothiophene-3-carboxylate

InChI: InChI=1S/C6H4Br2O2S/c1-10-6(9)3-2-4(7)11-5(3)8/h2H,1H3

Composition: C (24.02%), H (1.34%), Br (53.28%), O (10.67%), S (10.69%)

Molar Mass: 299.96

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.829877
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VAOITIHBHNKQKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.75
Topological Polar Surface Area 26.3
Polarizability 19.74
Ring Count 1
Rotatable Bond Count 2

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