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Home > Boronic Acids > 480438-52-6
480438-52-6 | (1-(Phenylsulfonyl)-1H-indol-6-yl)boronic acid
CAS No: 480438-52-6 Catalog No: AG003BEE MDL No:MFCD03840611
Product Description
Catalog Number:
AG003BEE
Chemical Name:
(1-(Phenylsulfonyl)-1H-indol-6-yl)boronic acid
CAS Number:
480438-52-6
Molecular Formula:
C14H12BNO4S
Molecular Weight:
301.1254
MDL Number:
MFCD03840611
IUPAC Name:
[1-(benzenesulfonyl)indol-6-yl]boronic acid
InChI:
InChI=1S/C14H12BNO4S/c17-15(18)12-7-6-11-8-9-16(14(11)10-12)21(19,20)13-4-2-1-3-5-13/h1-10,17-18H
InChI Key:
RVWRLLZYYUIBOX-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)n(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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