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Home > Boronic Acids > 1588769-41-8

1588769-41-8

1588769-41-8 | {[1,2,4]triazolo[4,3-a]pyridin-6-yl}boronic acid

CAS No: 1588769-41-8 Catalog No: AG01C2GY MDL No:MFCD26938321

Product Description

Catalog Number:
AG01C2GY
Chemical Name:
{[1,2,4]triazolo[4,3-a]pyridin-6-yl}boronic acid
CAS Number:
1588769-41-8
Molecular Formula:
C6H6BN3O2
Molecular Weight:
162.9417
MDL Number:
MFCD26938321
IUPAC Name:
[1,2,4]triazolo[4,3-a]pyridin-6-ylboronic acid
InChI:
InChI=1S/C6H6BN3O2/c11-7(12)5-1-2-6-9-8-4-10(6)3-5/h1-4,11-12H
InChI Key:
LNJFEDPCIDRFNQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc2n(c1)cnn2)O

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.943g/mol
Monoisotopic Mass:
163.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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