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Home > Boronic Acids > 499769-94-7
499769-94-7 | Benzo[c][1,2,5]thiadiazol-4-ylboronic acid
CAS No: 499769-94-7 Catalog No: AG003O20 MDL No:MFCD05664667
Product Description
Catalog Number:
AG003O20
Chemical Name:
Benzo[c][1,2,5]thiadiazol-4-ylboronic acid
CAS Number:
499769-94-7
Molecular Formula:
C6H5BN2O2S
Molecular Weight:
179.9921
MDL Number:
MFCD05664667
IUPAC Name:
2,1,3-benzothiadiazol-4-ylboronic acid
InChI:
InChI=1S/C6H5BN2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3,10-11H
InChI Key:
RVXHEMODAHHASJ-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1nsn2)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.988g/mol
Monoisotopic Mass:
180.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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