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Home > Boronic Acids > 129271-98-3
129271-98-3 | Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-
CAS No: 129271-98-3 Catalog No: AG000Z0S MDL No:MFCD02681892
Product Description
Catalog Number:
AG000Z0S
Chemical Name:
Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-
CAS Number:
129271-98-3
Molecular Formula:
C14H12BNO4S
Molecular Weight:
301.1254
MDL Number:
MFCD02681892
IUPAC Name:
[1-(benzenesulfonyl)indol-3-yl]boronic acid
InChI:
InChI=1S/C14H12BNO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
InChI Key:
YKTZLHLBQGCFQX-UHFFFAOYSA-N
SMILES:
OB(c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.123g/mol
Monoisotopic Mass:
301.058g/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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