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Home > Boronic Acids > 100124-07-0
100124-07-0 | Boronic acid, B-4-phenoxathiinyl-
CAS No: 100124-07-0 Catalog No: AG00010S MDL No:MFCD01605731
Product Description
Catalog Number:
AG00010S
Chemical Name:
Boronic acid, B-4-phenoxathiinyl-
CAS Number:
100124-07-0
Molecular Formula:
C12H9BO3S
Molecular Weight:
244.0741
MDL Number:
MFCD01605731
IUPAC Name:
phenoxathiin-4-ylboronic acid
InChI:
InChI=1S/C12H9BO3S/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,14-15H
InChI Key:
IIENVBUXFRSCLM-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1Oc1ccccc1S2)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.071g/mol
Monoisotopic Mass:
244.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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