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Home > Boronic Acids > 1256358-56-1
1256358-56-1 | Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-7-yl]-
CAS No: 1256358-56-1 Catalog No: AG000O5Q MDL No:MFCD12911913
Product Description
Catalog Number:
AG000O5Q
Chemical Name:
Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-7-yl]-
CAS Number:
1256358-56-1
Molecular Formula:
C14H12BNO4S
Molecular Weight:
301.1254
MDL Number:
MFCD12911913
IUPAC Name:
[1-(benzenesulfonyl)indol-7-yl]boronic acid
InChI:
InChI=1S/C14H12BNO4S/c17-15(18)13-8-4-5-11-9-10-16(14(11)13)21(19,20)12-6-2-1-3-7-12/h1-10,17-18H
InChI Key:
NJBMQFFUJSTNKL-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1n(cc2)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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