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Home > Boronic Acids > 763120-43-0
763120-43-0 | 2-Pyrrolylboronic acid
CAS No: 763120-43-0 Catalog No: AG005QI4 MDL No:
Product Description
Catalog Number:
AG005QI4
Chemical Name:
2-Pyrrolylboronic acid
CAS Number:
763120-43-0
Molecular Formula:
C4H6BNO2
Molecular Weight:
110.9069
IUPAC Name:
1H-pyrrol-2-ylboronic acid
InChI:
InChI=1S/C4H6BNO2/c7-5(8)4-2-1-3-6-4/h1-3,6-8H
InChI Key:
WADSQZHEAXPENM-UHFFFAOYSA-N
SMILES:
OB(c1ccc[nH]1)O
Properties
Complexity:
78.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.049g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
110.907g/mol
Monoisotopic Mass:
111.049g/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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