Text Search
Structure Search

3-(3-iodophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

3-(3-iodophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

CAS: 2724208-15-3

Formula: C16H12BIN2

SMILES: IC1=CC(=CC=C1)B1NC2=CC=CC3=CC=CC(N1)=C23

IUPAC: 3-(3-iodophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene

InChI: InChI=1S/C16H12BIN2/c18-13-7-3-6-12(10-13)17-19-14-8-1-4-11-5-2-9-15(20-17)16(11)14/h1-10,19-20H

Composition: C (51.94%), H (3.27%), B (2.92%), I (34.30%), N (7.57%)

Molar Mass: 370

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 370.01382
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QJXIPDWLWOMOGB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.19
Topological Polar Surface Area 24.06
Polarizability 35.85
Ring Count 4
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2724208-15-3 $51.35-$229.43$51.35$56.81$63.37$76.48$86.31$229.43
Request Quote