5-bromothiophen-2-ylboronic acid

5-bromothiophen-2-ylboronic acid

CAS: 162607-17-2

Formula: C4H4BBrO2S

SMILES: OB(O)C1=CC=C(Br)S1

IUPAC: (5-bromothiophen-2-yl)boronic acid

InChI: InChI=1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H

Composition: C (23.23%), H (1.95%), B (5.23%), Br (38.63%), O (15.47%), S (15.50%)

Molar Mass: 206.85

Atom Count: 13

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.920844
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	USJPOBDLWVCPGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.65
Topological Polar Surface Area	40.46
Polarizability	15.29
Ring Count	1
Rotatable Bond Count	1

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