Home Boronic Acids 100124-07-0
100124-07-0,MFCD01605731
Catalog No.:AA0000Y0
100124-07-0 | Boronic acid, B-4-phenoxathiinyl-
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000Y0
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
Computed 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

Synonyms
 
Phenoxathiin-4-boronic acid 
100124-07-0 
C12H9BO3S 
SCHEMBL2762793 
CTK3J8566 
4-PHENOXATHIINBORONIC ACID 
DTXSID10370266 
IIENVBUXFRSCLM-UHFFFAOYSA-N 
4-PHENOXATHIINEBORONIC ACID 
ZX-AT010783 
ZX-CM001743 
ANW-74021 
Phenoxathiin-4-ylboronic Acid 
MFCD01605731 
OR5866 
SBB099788 
AKOS004113765 
ZINC169794930 
AB09295 
RP05955 
RTR-000042 
AK-89064 
AN-34484 
4-PHENOXATHIINYLBORONIC ACID 
AS-30500 
CC-33636 
N977 
AX8014418 
TR-000042 
FT-0642416 
C-1345 
124P070 
C-14762 
I04-4410 
Boronic acid, B-4-phenoxathiinyl- 
J-000049 
J-515922 
CID2734376 
4-ethoxy-3-(hydroxymethyl)benzaldehyde hydrate 
A16150 
Boronic acid,B-4-phenoxathiinyl- 
Phenoxathiin-4-boronicacid 
ACMC-20ahtj 
PubChem8089 
AC1MC0ZU 
Literature
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