4-(1H-pyrazol-3-yl)phenylboronic acid

4-(1H-pyrazol-3-yl)phenylboronic acid

CAS: 1226849-25-7

Formula: C9H9BN2O2

SMILES: OB(O)C1=CC=C(C=C1)C1=NNC=C1

IUPAC: [4-(1H-pyrazol-3-yl)phenyl]boronic acid

InChI: InChI=1S/C9H9BN2O2/c13-10(14)8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6,13-14H,(H,11,12)

Composition: C (57.50%), H (4.83%), B (5.75%), N (14.90%), O (17.02%)

Molar Mass: 187.99

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	188.075708
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	KBDJAHIWOUOBDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.06
Topological Polar Surface Area	69.14
Polarizability	21.3
Ring Count	2
Rotatable Bond Count	2

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1226849-25-7		$215.05-$379.50$215.05$379.50