5-(ethoxycarbonyl)thiophen-2-ylboronic acid

5-(ethoxycarbonyl)thiophen-2-ylboronic acid

CAS: 352525-99-6

Formula: C7H9BO4S

SMILES: CCOC(=O)C1=CC=C(S1)B(O)O

IUPAC: [5-(ethoxycarbonyl)thiophen-2-yl]boronic acid

InChI: InChI=1S/C7H9BO4S/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4,10-11H,2H2,1H3

Composition: C (42.04%), H (4.54%), B (5.40%), O (32.00%), S (16.03%)

Molar Mass: 200.02

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.03146
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QEBDDYBJDARVJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.43
Topological Polar Surface Area	66.76
Polarizability	18.59
Ring Count	1
Rotatable Bond Count	4

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