ethyl 2-bromothiophene-3-carboxylate

ethyl 2-bromothiophene-3-carboxylate

CAS: 632325-50-9

Formula: C7H7BrO2S

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

IUPAC: ethyl 2-bromothiophene-3-carboxylate

InChI: InChI=1S/C7H7BrO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2H2,1H3

Composition: C (35.76%), H (3.00%), Br (33.99%), O (13.61%), S (13.64%)

Molar Mass: 235.1

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.935014
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PDYDQPWWVZTVQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.72
Topological Polar Surface Area	26.3
Polarizability	18.32
Ring Count	1
Rotatable Bond Count	3

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