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Home > Boronic Acids > 93969-72-3
93969-72-3 | 1,3,2-Benzothiazaborole, 2,3-dihydro-
CAS No: 93969-72-3 Catalog No: AG00H6Q2 MDL No:
Product Description
Catalog Number:
AG00H6Q2
Chemical Name:
1,3,2-Benzothiazaborole, 2,3-dihydro-
CAS Number:
93969-72-3
Molecular Formula:
C6H6BNS
Molecular Weight:
134.9945
IUPAC Name:
3H-1,3,2λ2-benzothiazaborole
InChI:
InChI=1S/C6H5BNS/c1-2-4-6-5(3-1)8-7-9-6/h1-4,8H
InChI Key:
BDOKEFWUAYLGSF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)SBN2
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.983g/mol
Monoisotopic Mass:
134.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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