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Home > Boronic Acids > 499769-91-4
499769-91-4 | 1,3-BENZOTHIAZOL-6-YLBORONIC ACID,97%
CAS No: 499769-91-4 Catalog No: AG00DHO2 MDL No:MFCD05664651
Product Description
Catalog Number:
AG00DHO2
Chemical Name:
1,3-BENZOTHIAZOL-6-YLBORONIC ACID,97%
CAS Number:
499769-91-4
Molecular Formula:
C7H6BNO2S
Molecular Weight:
179.0040
MDL Number:
MFCD05664651
IUPAC Name:
1,3-benzothiazol-6-ylboronic acid
InChI:
InChI=1S/C7H6BNO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H
InChI Key:
HGXFPSLIIZOVMB-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)scn2)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179g/mol
Monoisotopic Mass:
179.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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