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

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

Formula: C9H9BN2O2

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

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

InChI: InChI=1S/C9H9BN2O2/c13-10(14)9-3-1-7(2-4-9)8-5-11-12-6-8/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 SWPQSXAZOVFTJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.43
Topological Polar Surface Area 69.14
Polarizability 21.3
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
95% <4 Days C9H9BN2O2 $152.95-$1,933.15$152.95$379.50$1,933.15
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