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Home > Boronic Acids > 1076232-78-4
1076232-78-4 | (3-(4-Chlorobenzo[d]thiazol-2-yl)phenyl)boronic acid
CAS No: 1076232-78-4 Catalog No: AG007VU9 MDL No:MFCD16250580
Product Description
Catalog Number:
AG007VU9
Chemical Name:
(3-(4-Chlorobenzo[d]thiazol-2-yl)phenyl)boronic acid
CAS Number:
1076232-78-4
Molecular Formula:
C13H9BClNO2S
Molecular Weight:
289.5451
MDL Number:
MFCD16250580
IUPAC Name:
[3-(4-chloro-1,3-benzothiazol-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C13H9BClNO2S/c15-10-5-2-6-11-12(10)16-13(19-11)8-3-1-4-9(7-8)14(17)18/h1-7,17-18H
InChI Key:
IKEJMPKYYYKRTK-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)c1sc2c(n1)c(Cl)ccc2)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.54g/mol
Monoisotopic Mass:
289.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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