1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C5H5BN/c6-7-4-2-1-3-5-7/h1-5H/q+1

2.1.2 InChI Key

GWOHZEZRIORAJH-UHFFFAOYSA-N

2.1.3 Canonical SMILES

[B][N+]1=CC=CC=C1

2.2 Create Date

2014-10-06

3 Chemical and Physical Properties

Molecular Formula	C₅H₅BN+
Molecular Weight	89.91 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	90.0515043 g/mol
Monoisotopic Mass	90.0515043 g/mol
Topological Polar Surface Area	3.9 Å²
Heavy Atom Count	7
Formal Charge	1
Complexity	50
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Borane Pyridine Complex, ~8 M BH3