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Home > Boronic Acids > 936902-06-6
936902-06-6 | beta-(7-Chlorobenzo[b]thien-2-yl)boronic acid
CAS No: 936902-06-6 Catalog No: AG00H5L2 MDL No:MFCD16681212
Product Description
Catalog Number:
AG00H5L2
Chemical Name:
beta-(7-Chlorobenzo[b]thien-2-yl)boronic acid
CAS Number:
936902-06-6
Molecular Formula:
C8H6BClO2S
Molecular Weight:
212.4610
MDL Number:
MFCD16681212
IUPAC Name:
(7-chloro-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C8H6BClO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4,11-12H
InChI Key:
MCBCDJNNKDMHKL-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(s1)c(Cl)ccc2)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.454g/mol
Monoisotopic Mass:
211.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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