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Home > Boronic Acids > 741253-05-4

741253-05-4

741253-05-4 | (1H-Indol-3-yl);boronic acid

CAS No: 741253-05-4 Catalog No: AG005TSL MDL No:

Product Description

Catalog Number:
AG005TSL
Chemical Name:
(1H-Indol-3-yl);boronic acid
CAS Number:
741253-05-4
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
IUPAC Name:
1H-indol-3-ylboronic acid
InChI:
InChI=1S/C8H8BNO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10-12H
InChI Key:
PTTHBZMGHRDZCV-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]c2c1cccc2)O

Properties

Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
160.967g/mol
Monoisotopic Mass:
161.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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