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Home > Boronic Acids > 199659-23-9
199659-23-9 | Boronic acid, (5-chloro-3-thienyl)- (9CI)
CAS No: 199659-23-9 Catalog No: AG002C9Y MDL No:MFCD06796321
Product Description
Catalog Number:
AG002C9Y
Chemical Name:
Boronic acid, (5-chloro-3-thienyl)- (9CI)
CAS Number:
199659-23-9
Molecular Formula:
C4H4BClO2S
Molecular Weight:
162.4024
MDL Number:
MFCD06796321
IUPAC Name:
(5-chlorothiophen-3-yl)boronic acid
InChI:
InChI=1S/C4H4BClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2,7-8H
InChI Key:
DKYYLYWTTBGVKE-UHFFFAOYSA-N
SMILES:
Clc1scc(c1)B(O)O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.971g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.394g/mol
Monoisotopic Mass:
161.971g/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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