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Home > Boronic Acids > 866332-18-5
866332-18-5 | 2-Methylbenzothiazole-6-boronic acid
CAS No: 866332-18-5 Catalog No: AG008FHK MDL No:MFCD18417392
Product Description
Catalog Number:
AG008FHK
Chemical Name:
2-Methylbenzothiazole-6-boronic acid
CAS Number:
866332-18-5
Molecular Formula:
C8H8BNO2S
Molecular Weight:
193.0306
MDL Number:
MFCD18417392
IUPAC Name:
(2-methyl-1,3-benzothiazol-6-yl)boronic acid
InChI:
InChI=1S/C8H8BNO2S/c1-5-10-7-3-2-6(9(11)12)4-8(7)13-5/h2-4,11-12H,1H3
InChI Key:
FVTHDHCPCNNOAG-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)cc(cc2)B(O)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:
193.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.027g/mol
Monoisotopic Mass:
193.037g/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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