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Home > Boronic Acids > 1310404-02-4
1310404-02-4 | Boronic acid, B-2,1-benzisothiazol-5-yl-
CAS No: 1310404-02-4 Catalog No: AG000VE8 MDL No:MFCD14706136
Product Description
Catalog Number:
AG000VE8
Chemical Name:
Boronic acid, B-2,1-benzisothiazol-5-yl-
CAS Number:
1310404-02-4
Molecular Formula:
C7H6BNO2S
Molecular Weight:
179.0040
MDL Number:
MFCD14706136
IUPAC Name:
2,1-benzothiazol-5-ylboronic acid
InChI:
InChI=1S/C7H6BNO2S/c10-8(11)6-1-2-7-5(3-6)4-12-9-7/h1-4,10-11H
InChI Key:
HQNQYXUHTJKKPM-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)csn2)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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