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Home > Boronic Acids > 1443531-60-9
1443531-60-9 | Boronic acid, B-(7-methoxy-5-methylbenzo[b]thien-2-yl)-
CAS No: 1443531-60-9 Catalog No: AG001JE5 MDL No:MFCD26406768
Product Description
Catalog Number:
AG001JE5
Chemical Name:
Boronic acid, B-(7-methoxy-5-methylbenzo[b]thien-2-yl)-
CAS Number:
1443531-60-9
Molecular Formula:
C10H11BO3S
Molecular Weight:
222.0685
MDL Number:
MFCD26406768
IUPAC Name:
(7-methoxy-5-methyl-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C10H11BO3S/c1-6-3-7-5-9(11(12)13)15-10(7)8(4-6)14-2/h3-5,12-13H,1-2H3
InChI Key:
QMSRQVNGCIFRAP-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc2c1sc(c2)B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.065g/mol
Monoisotopic Mass:
222.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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