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Home > Boronic Acids > 1107603-38-2
1107603-38-2 | 1-(P-Toluenesulfonyl)indole-2-boronic acid
CAS No: 1107603-38-2 Catalog No: AG00HBRH MDL No:MFCD08701721
Product Description
Catalog Number:
AG00HBRH
Chemical Name:
1-(P-Toluenesulfonyl)indole-2-boronic acid
CAS Number:
1107603-38-2
Molecular Formula:
C15H14BNO4S
Molecular Weight:
315.1520
MDL Number:
MFCD08701721
IUPAC Name:
[1-(4-methylphenyl)sulfonylindol-2-yl]boronic acid
InChI:
InChI=1S/C15H14BNO4S/c1-11-6-8-13(9-7-11)22(20,21)17-14-5-3-2-4-12(14)10-15(17)16(18)19/h2-10,18-19H,1H3
InChI Key:
KYJNMYKIONEZQL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c(cc2c1cccc2)B(O)O
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.15g/mol
Monoisotopic Mass:
315.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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