2,5-dichlorothiophen-3-ylboronic acid

2,5-dichlorothiophen-3-ylboronic acid

CAS: 177735-28-3

Formula: C4H3BCl2O2S

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

IUPAC: (2,5-dichlorothiophen-3-yl)boronic acid

InChI: InChI=1S/C4H3BCl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1,8-9H

Composition: C (24.41%), H (1.54%), B (5.49%), Cl (36.02%), O (16.26%), S (16.29%)

Molar Mass: 196.84

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.932386
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UAAPRNJFCCPYBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.64
Topological Polar Surface Area	40.46
Polarizability	16.27
Ring Count	1
Rotatable Bond Count	1

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