Text Search
Structure Search

4-(2-{4'-chloro-[1,1'-biphenyl]-4-yl}diazen-1-yl)-3-methyl-4H-1,2-oxazol-5-one

4-(2-{4'-chloro-[1,1'-biphenyl]-4-yl}diazen-1-yl)-3-methyl-4H-1,2-oxazol-5-one

Formula: C16H12ClN3O2

SMILES: CC1=NOC(=O)C1N=NC1=CC=C(C=C1)C1=CC=C(Cl)C=C1

IUPAC: 4-(2-{4'-chloro-[1,1'-biphenyl]-4-yl}diazen-1-yl)-3-methyl-4,5-dihydro-1,2-oxazol-5-one

InChI: InChI=1/C16H12ClN3O2/c1-10-15(16(21)22-20-10)19-18-14-8-4-12(5-9-14)11-2-6-13(17)7-3-11/h2-9,15H,1H3

Composition: C (61.25%), H (3.86%), Cl (11.30%), N (13.39%), O (10.20%)

Molar Mass: 313.74

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 313.0618043
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey MQYGFIZWMYEAFI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.47
Topological Polar Surface Area 63.38
Polarizability 32.93
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H12ClN3O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote