3-chlorothiophen-2-ylboronic acid

3-chlorothiophen-2-ylboronic acid

CAS: 324024-80-8

Formula: C4H4BClO2S

SMILES: OB(O)C1=C(Cl)C=CS1

IUPAC: (3-chlorothiophen-2-yl)boronic acid

InChI: InChI=1S/C4H4BClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2,7-8H

Composition: C (29.58%), H (2.48%), B (6.66%), Cl (21.83%), O (19.70%), S (19.74%)

Molar Mass: 162.39

Atom Count: 13

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.971358
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	SFFHGIVONBNWST-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.67
Topological Polar Surface Area	40.46
Polarizability	14.2
Ring Count	1
Rotatable Bond Count	1

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